 Entering Gaussian System, Link 0=g16
 Input=19_methylcyclohexanone_Boat_STD_wB97XD-def2SVPDr.in
 Output=19_methylcyclohexanone_Boat_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/19_methylcyclohexanone_Boat_STD/Gau-32961.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/19_methylcyclohexanone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32962.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                24-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=120GB
 %chk=19_methylcyclohexanone_Boat_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sat Jul 24 16:52:20 2021, MaxMem= 16106127360 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "19_methylcyclohexanone_Boat_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.598849000000      0.704366000000     -0.206529000000
  C                                                 1.101228000000     -0.711991000000      0.043642000000
  C                                                -0.113250000000     -0.805140000000      0.936088000000
  C                                                -1.304166000000      0.036131000000      0.404859000000
  O                                                 1.645599000000     -1.677610000000     -0.439886000000
  H                                                 1.880909000000      0.764552000000     -1.260050000000
  H                                                 2.521567000000      0.833636000000      0.367502000000
  H                                                 0.189114000000     -0.415856000000      1.914189000000
  H                                                -0.387393000000     -1.851222000000      1.064625000000
  H                                                -1.882232000000      0.353357000000      1.276987000000
  C                                                -2.214659000000     -0.802663000000     -0.488897000000
  H                                                -1.657245000000     -1.206857000000     -1.337618000000
  H                                                -3.035477000000     -0.200152000000     -0.884181000000
  H                                                -2.645488000000     -1.642727000000      0.058923000000
  C                                                 0.553737000000      1.766949000000      0.148811000000
  C                                                -0.819914000000      1.303231000000     -0.333141000000
  H                                                 0.822669000000      2.721592000000     -0.306662000000
  H                                                 0.531382000000      1.936615000000      1.229376000000
  H                                                -0.749828000000      1.087440000000     -1.405242000000
  H                                                -1.563723000000      2.095209000000     -0.227759000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1          12          12           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           0           0           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Sat Jul 24 16:52:20 2021, MaxMem= 16106127360 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.598849    0.704366   -0.206529
      2          6           0        1.101228   -0.711991    0.043642
      3          6           0       -0.113250   -0.805140    0.936088
      4          6           0       -1.304166    0.036131    0.404859
      5          8           0        1.645599   -1.677610   -0.439886
      6          1           0        1.880909    0.764552   -1.260050
      7          1           0        2.521567    0.833636    0.367502
      8          1           0        0.189114   -0.415856    1.914189
      9          1           0       -0.387393   -1.851222    1.064625
     10          1           0       -1.882232    0.353357    1.276987
     11          6           0       -2.214659   -0.802663   -0.488897
     12          1           0       -1.657245   -1.206857   -1.337618
     13          1           0       -3.035477   -0.200152   -0.884181
     14          1           0       -2.645488   -1.642727    0.058923
     15          6           0        0.553737    1.766949    0.148811
     16          6           0       -0.819914    1.303231   -0.333141
     17          1           0        0.822669    2.721592   -0.306662
     18          1           0        0.531382    1.936615    1.229376
     19          1           0       -0.749828    1.087440   -1.405242
     20          1           0       -1.563723    2.095209   -0.227759
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.521933   0.000000
     3  C    2.552541   1.509998   0.000000
     4  C    3.041024   2.544815   1.551845   0.000000
     5  O    2.393836   1.209363   2.397511   3.514487   0.000000
     6  H    1.092285   2.118418   3.356132   3.667045   2.586928
     7  H    1.094363   2.123961   3.154542   3.908151   2.779488
     8  H    2.782031   2.102045   1.095284   2.170773   3.042210
     9  H    3.477358   2.134536   1.089020   2.199515   2.535104
    10  H    3.800257   3.399579   2.141874   1.093343   4.417926
    11  C    4.110196   3.359602   2.538997   1.526883   3.958475
    12  H    3.941356   3.124411   2.777595   2.169311   3.454896
    13  H    4.770151   4.270265   3.495540   2.171380   4.928768
    14  H    4.857335   3.860620   2.807704   2.176552   4.320122
    15  C    1.532191   2.540856   2.771339   2.552077   3.661108
    16  C    2.495012   2.809603   2.560380   1.544243   3.869827
    17  H    2.163720   3.462629   3.854635   3.498770   4.477493
    18  H    2.172498   2.957330   2.831747   2.767834   4.134070
    19  H    2.664572   2.960342   3.077161   2.165411   3.783581
    20  H    3.454961   3.880205   3.445350   2.169649   4.957712
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.750469   0.000000
     8  H    3.785674   3.064932   0.000000
     9  H    4.170322   4.019514   1.764765   0.000000
    10  H    4.557068   4.522309   2.299606   2.672042   0.000000
    11  C    4.452473   5.083575   3.420901   2.617596   2.136641
    12  H    4.051050   4.953132   3.822169   2.792580   3.053039
    13  H    5.024220   5.789315   4.274973   3.679161   2.511373
    14  H    5.293671   5.738123   3.603081   2.480705   2.459795
    15  C    2.179696   2.188893   2.830927   3.849104   3.033969
    16  C    2.905818   3.446290   3.003979   3.477269   2.150184
    17  H    2.420501   2.627761   3.895786   4.924968   3.928482
    18  H    3.064669   2.433151   2.473911   3.901154   2.886954
    19  H    2.654452   3.729486   3.762995   3.855819   3.002594
    20  H    3.834288   4.316885   3.737088   4.316054   2.323738
                   11         12         13         14         15
    11  C    0.000000
    12  H    1.092891   0.000000
    13  H    1.092250   1.765951   0.000000
    14  H    1.091525   1.765484   1.767076   0.000000
    15  C    3.830613   3.992673   4.221258   4.676431   0.000000
    16  C    2.530684   2.830307   2.733592   3.487851   1.527818
    17  H    4.656065   4.758735   4.873952   5.586506   1.091386
    18  H    4.242269   4.610961   4.664266   4.926881   1.094032
    19  H    2.560841   2.468153   2.674619   3.631958   2.139181
    20  H    2.981539   3.484849   2.804573   3.901867   2.175591
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.170375   0.000000
    18  H    2.160703   1.749414   0.000000
    19  H    1.095846   2.519936   3.050215   0.000000
    20  H    1.091598   2.468491   2.556924   1.750568   0.000000
 Stoichiometry    C7H12O
 Framework group  C1[X(C7H12O)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.83D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.598849    0.704366   -0.206529
      2          6           0        1.101228   -0.711991    0.043642
      3          6           0       -0.113250   -0.805140    0.936088
      4          6           0       -1.304166    0.036131    0.404859
      5          8           0        1.645599   -1.677610   -0.439886
      6          1           0        1.880909    0.764551   -1.260050
      7          1           0        2.521567    0.833635    0.367502
      8          1           0        0.189114   -0.415856    1.914189
      9          1           0       -0.387393   -1.851222    1.064625
     10          1           0       -1.882232    0.353357    1.276987
     11          6           0       -2.214659   -0.802663   -0.488897
     12          1           0       -1.657245   -1.206857   -1.337618
     13          1           0       -3.035477   -0.200151   -0.884181
     14          1           0       -2.645488   -1.642726    0.058923
     15          6           0        0.553737    1.766949    0.148811
     16          6           0       -0.819914    1.303231   -0.333141
     17          1           0        0.822670    2.721592   -0.306662
     18          1           0        0.531383    1.936615    1.229376
     19          1           0       -0.749828    1.087440   -1.405242
     20          1           0       -1.563722    2.095209   -0.227759
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.6603753           2.0000547           1.3560924
 Leave Link  202 at Sat Jul 24 16:52:20 2021, MaxMem= 16106127360 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     12     13     14     17     18
 Centers:      19     20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4     11     15     16
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   275 symmetry adapted cartesian basis functions of A   symmetry.
 There are   259 symmetry adapted basis functions of A   symmetry.
   259 basis functions,   379 primitive gaussians,   275 cartesian basis functions
    31 alpha electrons       31 beta electrons
       nuclear repulsion energy       391.2914351105 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0135633299 Hartrees.
 Nuclear repulsion after empirical dispersion term =      391.2778717806 Hartrees.
 Leave Link  301 at Sat Jul 24 16:52:22 2021, MaxMem= 16106127360 cpu:              12.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   259 RedAO= T EigKep=  4.87D-05  NBF=   259
 NBsUse=   259 1.00D-06 EigRej= -1.00D+00 NBFU=   259
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   275   275   275   275   275 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Sat Jul 24 16:52:22 2021, MaxMem= 16106127360 cpu:               5.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sat Jul 24 16:52:23 2021, MaxMem= 16106127360 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "19_methylcyclohexanone_Boat_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sat Jul 24 16:52:23 2021, MaxMem= 16106127360 cpu:               5.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16105968896 LenY= 16105892830
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -348.860977332434    
 DIIS: error= 3.25D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -348.860977332434     IErMin= 1 ErrMin= 3.25D-03
 ErrMax= 3.25D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.74D-03 BMatP= 8.74D-03
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.25D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.377 Goal=   None    Shift=    0.000
 GapD=    0.377 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.40D-03 MaxDP=1.58D-01              OVMax= 1.50D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.39D-03    CP:  9.87D-01
 E= -348.868260538376     Delta-E=       -0.007283205942 Rises=F Damp=F
 DIIS: error= 1.02D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -348.868260538376     IErMin= 2 ErrMin= 1.02D-03
 ErrMax= 1.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-04 BMatP= 8.74D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.02D-02
 Coeff-Com: -0.213D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.211D-01 0.102D+01
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=5.57D-04 MaxDP=2.18D-02 DE=-7.28D-03 OVMax= 7.72D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.56D-04    CP:  9.88D-01  1.10D+00
 E= -348.868472371249     Delta-E=       -0.000211832873 Rises=F Damp=F
 DIIS: error= 9.33D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -348.868472371249     IErMin= 3 ErrMin= 9.33D-04
 ErrMax= 9.33D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.16D-04 BMatP= 2.41D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.33D-03
 Coeff-Com: -0.459D-01 0.506D+00 0.540D+00
 Coeff-En:   0.000D+00 0.521D-01 0.948D+00
 Coeff:     -0.455D-01 0.502D+00 0.544D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=9.45D-05 MaxDP=3.69D-03 DE=-2.12D-04 OVMax= 3.34D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.94D-05    CP:  9.88D-01  1.11D+00  1.04D+00
 E= -348.868621623235     Delta-E=       -0.000149251986 Rises=F Damp=F
 DIIS: error= 2.41D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -348.868621623235     IErMin= 4 ErrMin= 2.41D-04
 ErrMax= 2.41D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-05 BMatP= 2.16D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.41D-03
 Coeff-Com: -0.174D-01 0.114D+00 0.229D+00 0.674D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.173D-01 0.114D+00 0.228D+00 0.675D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=3.48D-05 MaxDP=1.14D-03 DE=-1.49D-04 OVMax= 9.83D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.73D-05    CP:  9.88D-01  1.11D+00  1.09D+00  1.03D+00
 E= -348.868632292287     Delta-E=       -0.000010669051 Rises=F Damp=F
 DIIS: error= 6.95D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -348.868632292287     IErMin= 5 ErrMin= 6.95D-05
 ErrMax= 6.95D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-06 BMatP= 1.40D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.712D-03-0.359D-01-0.686D-02 0.267D+00 0.775D+00
 Coeff:      0.712D-03-0.359D-01-0.686D-02 0.267D+00 0.775D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.61D-05 MaxDP=4.91D-04 DE=-1.07D-05 OVMax= 3.26D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.19D-05    CP:  9.88D-01  1.11D+00  1.12D+00  1.06D+00  9.24D-01
 E= -348.868634052344     Delta-E=       -0.000001760058 Rises=F Damp=F
 DIIS: error= 9.93D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -348.868634052344     IErMin= 6 ErrMin= 9.93D-06
 ErrMax= 9.93D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.08D-08 BMatP= 1.68D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-02-0.164D-01-0.122D-01 0.411D-01 0.231D+00 0.756D+00
 Coeff:      0.104D-02-0.164D-01-0.122D-01 0.411D-01 0.231D+00 0.756D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=4.38D-06 MaxDP=1.23D-04 DE=-1.76D-06 OVMax= 7.54D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.18D-06    CP:  9.88D-01  1.11D+00  1.12D+00  1.07D+00  9.66D-01
                    CP:  9.57D-01
 E= -348.868634119431     Delta-E=       -0.000000067086 Rises=F Damp=F
 DIIS: error= 1.90D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -348.868634119431     IErMin= 7 ErrMin= 1.90D-06
 ErrMax= 1.90D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.10D-09 BMatP= 6.08D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.164D-03-0.115D-02-0.972D-03-0.767D-02 0.278D-02 0.144D+00
 Coeff-Com:  0.863D+00
 Coeff:      0.164D-03-0.115D-02-0.972D-03-0.767D-02 0.278D-02 0.144D+00
 Coeff:      0.863D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.08D-06 MaxDP=3.23D-05 DE=-6.71D-08 OVMax= 2.45D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.80D-07    CP:  9.88D-01  1.11D+00  1.12D+00  1.07D+00  9.76D-01
                    CP:  1.00D+00  1.10D+00
 E= -348.868634123829     Delta-E=       -0.000000004398 Rises=F Damp=F
 DIIS: error= 6.49D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -348.868634123829     IErMin= 8 ErrMin= 6.49D-07
 ErrMax= 6.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.03D-10 BMatP= 3.10D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.646D-04 0.150D-02 0.130D-02-0.804D-02-0.267D-01-0.466D-01
 Coeff-Com:  0.269D+00 0.810D+00
 Coeff:     -0.646D-04 0.150D-02 0.130D-02-0.804D-02-0.267D-01-0.466D-01
 Coeff:      0.269D+00 0.810D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=4.13D-07 MaxDP=1.35D-05 DE=-4.40D-09 OVMax= 1.12D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.48D-07    CP:  9.88D-01  1.11D+00  1.12D+00  1.07D+00  9.78D-01
                    CP:  1.02D+00  1.17D+00  1.08D+00
 E= -348.868634124528     Delta-E=       -0.000000000698 Rises=F Damp=F
 DIIS: error= 1.32D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -348.868634124528     IErMin= 9 ErrMin= 1.32D-07
 ErrMax= 1.32D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-11 BMatP= 5.03D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.237D-04 0.387D-03 0.353D-03-0.133D-02-0.548D-02-0.171D-01
 Coeff-Com:  0.232D-02 0.151D+00 0.870D+00
 Coeff:     -0.237D-04 0.387D-03 0.353D-03-0.133D-02-0.548D-02-0.171D-01
 Coeff:      0.232D-02 0.151D+00 0.870D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=8.52D-08 MaxDP=2.06D-06 DE=-6.98D-10 OVMax= 3.16D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.52D-08    CP:  9.88D-01  1.11D+00  1.12D+00  1.07D+00  9.79D-01
                    CP:  1.02D+00  1.18D+00  1.13D+00  1.09D+00
 E= -348.868634124575     Delta-E=       -0.000000000047 Rises=F Damp=F
 DIIS: error= 4.94D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -348.868634124575     IErMin=10 ErrMin= 4.94D-08
 ErrMax= 4.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-12 BMatP= 1.66D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.950D-06-0.552D-04-0.413D-04 0.404D-03 0.128D-02 0.133D-02
 Coeff-Com: -0.209D-01-0.455D-01 0.140D+00 0.923D+00
 Coeff:      0.950D-06-0.552D-04-0.413D-04 0.404D-03 0.128D-02 0.133D-02
 Coeff:     -0.209D-01-0.455D-01 0.140D+00 0.923D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.85D-08 MaxDP=7.72D-07 DE=-4.73D-11 OVMax= 1.64D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.87D-08    CP:  9.88D-01  1.11D+00  1.12D+00  1.07D+00  9.79D-01
                    CP:  1.02D+00  1.18D+00  1.15D+00  1.15D+00  1.03D+00
 E= -348.868634124562     Delta-E=        0.000000000013 Rises=F Damp=F
 DIIS: error= 2.11D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -348.868634124575     IErMin=11 ErrMin= 2.11D-08
 ErrMax= 2.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-13 BMatP= 1.59D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.238D-05-0.438D-04-0.376D-04 0.176D-03 0.668D-03 0.176D-02
 Coeff-Com: -0.261D-02-0.197D-01-0.591D-01 0.105D+00 0.974D+00
 Coeff:      0.238D-05-0.438D-04-0.376D-04 0.176D-03 0.668D-03 0.176D-02
 Coeff:     -0.261D-02-0.197D-01-0.591D-01 0.105D+00 0.974D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=9.51D-09 MaxDP=2.54D-07 DE= 1.30D-11 OVMax= 9.43D-07

 SCF Done:  E(RwB97XD) =  -348.868634125     A.U. after   11 cycles
            NFock= 11  Conv=0.95D-08     -V/T= 2.0117
 KE= 3.448292694487D+02 PE=-1.591319964225D+03 EE= 5.063441888709D+02
 Leave Link  502 at Sat Jul 24 16:53:07 2021, MaxMem= 16106127360 cpu:             686.3 elap:              43.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   259
 NBasis=   259 NAE=    31 NBE=    31 NFC=     0 NFV=     0
 NROrb=    259 NOA=    31 NOB=    31 NVA=   228 NVB=   228

 **** Warning!!: The largest alpha MO coefficient is  0.35401266D+02

 Leave Link  801 at Sat Jul 24 16:53:07 2021, MaxMem= 16106127360 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6052 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.48D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.25D-01 8.29D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 1.86D-02 2.16D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.50D-03 7.60D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 5.88D-05 1.45D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 1.19D-06 2.27D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 3.45D-08 4.67D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 9.54D-10 6.11D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 1.69D-11 9.93D-07.
     10 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 2.41D-13 1.08D-07.
      2 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 4.16D-15 8.54D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.899541D+02
      2  0.135576D+00  0.888640D+02
      3 -0.185906D+01  0.780941D+00  0.743252D+02
 Isotropic polarizability for W=    0.093368       84.38 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.415157D+02 -0.198883D+02 -0.188698D+02
      2   0.251441D+02  0.258797D+02  0.239237D+01
      3   0.163716D+02 -0.599144D+01  0.164774D+02
      4   0.558287D+01 -0.505527D+01  0.134579D+02
      5  -0.168660D+02  0.953115D+01 -0.245766D+02
      6   0.942375D+01 -0.461746D+01  0.152756D+02
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.359174D+01  0.278753D+01 -0.776423D+01
      2  -0.132802D+02  0.488300D+01 -0.135099D+02
      3   0.155063D+02  0.862857D+01  0.869187D+00
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.392679D+01 -0.700983D+01 -0.212670D+02
      2  -0.200385D+01  0.403418D+01 -0.409482D+02
      3   0.254711D+02  0.301993D+02 -0.107397D+00
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.189440D+01  0.149647D+01 -0.141001D+01
      2   0.149647D+01 -0.352729D+00 -0.123283D+00
      3  -0.141001D+01 -0.123283D+00  0.618784D+00
 OR G Eigenvalues:    -1.2853     0.1429     3.3029  Iso=    -0.7202
 Eigenvectors:
   (1)  -0.518333   0.787753  -0.332831
   (2)   0.235861   0.505786   0.829789
   (3)   0.822010   0.351605  -0.447965
 w=    0.093368 a.u., Optical Rotation Beta=     -0.7202 au.
 Molar Mass =    112.1712 grams/mole, [Alpha] ( 4880.0 A) =     -361.87 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   33670 ScalPx= 2.13D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   33670 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.48D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.96D-14 2.78D-09 XBig12= 1.00D+00 3.25D-01.
     30 vectors produced by pass  1 Test12= 1.96D-14 2.78D-09 XBig12= 5.87D-02 3.53D-02.
     30 vectors produced by pass  2 Test12= 1.96D-14 2.78D-09 XBig12= 2.34D-03 6.15D-03.
     30 vectors produced by pass  3 Test12= 1.96D-14 2.78D-09 XBig12= 2.94D-05 8.19D-04.
     30 vectors produced by pass  4 Test12= 1.96D-14 2.78D-09 XBig12= 3.70D-07 7.36D-05.
     30 vectors produced by pass  5 Test12= 1.96D-14 2.78D-09 XBig12= 3.42D-09 6.87D-06.
     30 vectors produced by pass  6 Test12= 1.96D-14 2.78D-09 XBig12= 2.30D-11 5.63D-07.
     30 vectors produced by pass  7 Test12= 1.96D-14 2.78D-09 XBig12= 1.43D-13 4.77D-08.
      2 vectors produced by pass  8 Test12= 1.96D-14 2.78D-09 XBig12= 1.15D-15 3.45D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   242 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   33670 ScalPx= 8.75D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   33670 ScalPx= 8.75D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   33670 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.38D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.899541D+02  0.135576D+00 -0.185906D+01
      2   0.135576D+00  0.888640D+02  0.780941D+00
      3  -0.185906D+01  0.780941D+00  0.743252D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.359174D+01  0.278753D+01 -0.776423D+01
      2  -0.132802D+02  0.488300D+01 -0.135099D+02
      3   0.155063D+02  0.862857D+01  0.869187D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.415157D+02 -0.198883D+02 -0.188698D+02
      2   0.251441D+02  0.258797D+02  0.239237D+01
      3   0.163716D+02 -0.599144D+01  0.164774D+02
      4   0.558287D+01 -0.505527D+01  0.134579D+02
      5  -0.168660D+02  0.953115D+01 -0.245766D+02
      6   0.942375D+01 -0.461746D+01  0.152756D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.464798D+01 -0.235044D+01 -0.163583D+01 -0.100890D+01  0.249936D+01
      2  -0.235044D+01 -0.948489D-01 -0.331510D+00  0.249936D+01  0.207825D+01
      3  -0.163583D+01 -0.331510D+00 -0.252936D+01 -0.409232D+00 -0.167189D+01
                 6             7             8             9            10 
      1  -0.409232D+00 -0.225080D+01 -0.542292D+00 -0.336355D+01  0.206728D+00
      2  -0.167189D+01 -0.542292D+00 -0.928669D+00 -0.762140D+00  0.289972D+01
      3  -0.148944D+00 -0.336355D+01 -0.762140D+00  0.469961D+01  0.159186D+00
                11            12            13            14            15 
      1   0.289972D+01  0.159186D+00  0.183317D+01 -0.422684D+01 -0.835311D+00
      2  -0.379754D+01 -0.132347D+01 -0.422684D+01  0.481835D+00  0.325617D+01
      3  -0.132347D+01  0.108283D+01 -0.835311D+00  0.325617D+01  0.100449D+01
                16            17            18            19            20 
      1   0.129842D+01 -0.185029D+01  0.555891D+00  0.215464D+01 -0.266172D+01
      2  -0.185029D+01  0.308930D+01  0.159133D+01 -0.266172D+01  0.326855D+01
      3   0.555891D+00  0.159133D+01 -0.179144D+00  0.145871D+01 -0.765831D+00
                21            22            23            24            25 
      1   0.145871D+01 -0.305054D+01  0.308997D+01 -0.113055D+01  0.742614D+00
      2  -0.765831D+00  0.308997D+01  0.555273D+01 -0.205108D+01 -0.725090D+00
      3  -0.188971D+01 -0.113055D+01 -0.205108D+01 -0.179108D+01 -0.124660D+01
                26            27            28            29            30 
      1  -0.725090D+00 -0.124660D+01 -0.216981D+01  0.244763D+01 -0.124685D+01
      2  -0.124510D+01 -0.185790D+01  0.244763D+01 -0.177049D+01  0.289729D+01
      3  -0.185790D+01 -0.357341D+01 -0.124685D+01  0.289729D+01  0.257860D+01
                31            32            33            34            35 
      1   0.365785D+01 -0.209303D+01  0.263692D+01 -0.160629D+01  0.360202D+01
      2  -0.209303D+01 -0.258165D+01  0.954585D+00  0.360202D+01  0.170179D+01
      3   0.263692D+01  0.954585D+00 -0.627032D+00  0.278302D+01 -0.102119D+01
                36            37            38            39            40 
      1   0.278302D+01  0.521502D+01 -0.434000D+01 -0.158054D+01 -0.426592D+01
      2  -0.102119D+01 -0.434000D+01  0.391430D+01  0.806723D+00  0.504784D+01
      3  -0.373545D+01 -0.158054D+01  0.806723D+00  0.774652D+00  0.118204D+01
                41            42            43            44            45 
      1   0.504784D+01  0.118204D+01 -0.226617D+01  0.156751D+01  0.193562D+01
      2  -0.103734D+02 -0.304848D+01  0.156751D+01 -0.328702D+01 -0.368093D+01
      3  -0.304848D+01 -0.219908D+01  0.193562D+01 -0.368093D+01 -0.278432D+01
                46            47            48            49            50 
      1   0.200538D+01  0.707406D+00 -0.140140D+01  0.242841D+00  0.187750D+00
      2   0.707406D+00  0.567667D+00 -0.235251D+00  0.187750D+00  0.124437D+00
      3  -0.140140D+01 -0.235251D+00  0.142559D+01  0.787654D-01 -0.838410D+00
                51            52            53            54            55 
      1   0.787654D-01 -0.257159D+01 -0.238169D+00  0.292211D+01  0.846839D+01
      2  -0.838410D+00 -0.238169D+00 -0.175105D+01  0.104038D+01  0.191011D+01
      3   0.353761D+00  0.292211D+01  0.104038D+01 -0.682061D+01  0.219938D+01
                56            57            58            59            60 
      1   0.191011D+01  0.219938D+01  0.670038D+00  0.927401D+00  0.261269D+00
      2   0.181691D+01  0.382591D+00  0.927401D+00  0.821682D+00  0.784749D+00
      3   0.382591D+00  0.175378D+01  0.261269D+00  0.784749D+00  0.305301D+00
                61            62            63            64            65 
      1   0.373878D+01  0.651136D+00  0.229152D+01  0.529172D+00  0.645747D+00
      2   0.651136D+00  0.146027D+01  0.795654D+00  0.645747D+00 -0.177164D-01
      3   0.229152D+01  0.795654D+00  0.140018D+01  0.101564D+01  0.150314D+00
                66            67            68            69            70 
      1   0.101564D+01  0.157892D+01 -0.233538D+00  0.103897D+00  0.149830D+01
      2   0.150314D+00 -0.233538D+00  0.760166D+00  0.123797D+01  0.206224D+00
      3   0.183786D+01  0.103897D+00  0.123797D+01  0.181735D+01  0.102254D+01
                71            72            73            74            75 
      1   0.206224D+00  0.102254D+01 -0.110040D+01 -0.110164D+01  0.827744D-01
      2   0.127959D+01  0.869390D+00 -0.110164D+01 -0.132760D+01  0.477387D+00
      3   0.869390D+00  0.801939D+01  0.827744D-01  0.477387D+00 -0.271526D+00
                76            77            78            79            80 
      1  -0.173334D+01 -0.145552D+01  0.399690D+00 -0.307956D-01  0.248956D+00
      2  -0.145552D+01 -0.802437D+01  0.229665D+01  0.248956D+00  0.816008D+00
      3   0.399690D+00  0.229665D+01 -0.168094D+01 -0.126583D+00 -0.110331D+01
                81            82            83            84            85 
      1  -0.126583D+00 -0.347342D+01  0.375901D+00  0.239510D+01  0.712175D+00
      2  -0.110331D+01  0.375901D+00 -0.836770D+00 -0.959088D+00 -0.742501D+00
      3   0.132975D+01  0.239510D+01 -0.959088D+00 -0.287952D+01 -0.103875D+01
                86            87            88            89            90 
      1  -0.742501D+00 -0.103875D+01  0.303741D+01 -0.966885D+00 -0.288227D+01
      2   0.145290D+01  0.116903D+01 -0.966885D+00  0.123781D+01  0.114132D+01
      3   0.116903D+01  0.149849D+01 -0.288227D+01  0.114132D+01  0.569904D+01
                91            92            93            94            95 
      1   0.278511D+01 -0.191157D+01  0.112130D+01 -0.303609D+01  0.250491D+01
      2  -0.191157D+01  0.174022D+01 -0.368543D+01  0.250491D+01  0.270317D+01
      3   0.112130D+01 -0.368543D+01 -0.145192D+01 -0.424005D+01 -0.126340D+01
                96            97            98            99           100 
      1  -0.424005D+01  0.483857D+00 -0.441241D+01 -0.108660D+01  0.151500D+01
      2  -0.126340D+01 -0.441241D+01 -0.196577D+01  0.157536D+01 -0.110686D+00
      3   0.102435D+01 -0.108660D+01  0.157536D+01  0.247917D+01 -0.940819D+00
               101           102           103           104           105 
      1  -0.110686D+00 -0.940819D+00 -0.447381D+00  0.297411D-01  0.579439D+00
      2   0.103172D+01  0.111869D+01  0.297411D-01 -0.185429D+01 -0.124962D+01
      3   0.111869D+01  0.215008D+01  0.579439D+00 -0.124962D+01 -0.164272D+01
               106           107           108           109           110 
      1  -0.161618D+01  0.451966D+00  0.588522D+00 -0.710473D+01  0.157409D+01
      2   0.451966D+00 -0.163533D+01 -0.191100D+01  0.157409D+01 -0.173615D+01
      3   0.588522D+00 -0.191100D+01 -0.492051D+01 -0.235337D+01  0.879263D+00
               111           112           113           114           115 
      1  -0.235337D+01  0.381816D+01 -0.174880D+01  0.163112D+01 -0.228247D+01
      2   0.879263D+00 -0.174880D+01  0.169214D+01 -0.616485D+00  0.943425D+00
      3  -0.155660D+01  0.163112D+01 -0.616485D+00  0.118438D+01 -0.183081D+01
               116           117           118           119           120 
      1   0.943425D+00 -0.183081D+01 -0.305702D+01 -0.196327D+01  0.673398D+00
      2  -0.518758D+00  0.461154D+00 -0.196327D+01 -0.228582D+01  0.935353D+00
      3   0.461154D+00 -0.184079D+01  0.673398D+00  0.935353D+00 -0.668093D+00
               121           122           123           124           125 
      1  -0.267184D+01 -0.321119D+01  0.101254D+01  0.197582D+01  0.176574D+01
      2  -0.321119D+01 -0.573321D+01  0.143072D+01  0.176574D+01  0.260861D+01
      3   0.101254D+01  0.143072D+01 -0.154430D+01 -0.789976D+00 -0.155483D+01
               126           127           128           129           130 
      1  -0.789976D+00  0.210081D+01  0.214125D+01  0.158300D+01  0.236266D+01
      2  -0.155483D+01  0.214125D+01 -0.253489D+01  0.573571D+00 -0.307021D+01
      3   0.151462D+01  0.158300D+01  0.573571D+00  0.580278D-01  0.685583D+00
               131           132           133           134           135 
      1  -0.307021D+01  0.685583D+00  0.159195D+01  0.915646D+00  0.307169D-01
      2  -0.433706D+01  0.203092D+01  0.915646D+00  0.317523D+01 -0.253700D+01
      3   0.203092D+01 -0.155683D+01  0.307169D-01 -0.253700D+01 -0.615007D+01
               136           137           138           139           140 
      1   0.891693D-01 -0.361854D+01 -0.765990D+00 -0.364397D+01  0.386568D+01
      2  -0.361854D+01  0.370642D+01 -0.103992D+01  0.386568D+01  0.468204D+00
      3  -0.765990D+00 -0.103992D+01 -0.206324D+00 -0.908397D+00 -0.105764D+01
               141           142           143           144           145 
      1  -0.908397D+00 -0.116034D+01 -0.693385D+00 -0.265914D+00  0.112233D+01
      2  -0.105764D+01 -0.693385D+00 -0.224072D+01  0.144160D+01  0.156179D+01
      3   0.170172D+01 -0.265914D+00  0.144160D+01  0.612440D+01 -0.703122D+00
               146           147           148           149           150 
      1   0.156179D+01 -0.703122D+00  0.169333D+01  0.226399D+01 -0.375956D+00
      2   0.205372D+01 -0.363431D+00  0.226399D+01  0.997478D+01 -0.177940D+01
      3  -0.363431D+00  0.251607D+00 -0.375956D+00 -0.177940D+01  0.139866D+01
               151           152           153           154           155 
      1  -0.111457D+01 -0.733454D+00  0.450983D+00 -0.280194D+00  0.767045D-01
      2  -0.733454D+00 -0.324876D+01  0.194948D+01  0.767045D-01  0.208022D+00
      3   0.450983D+00  0.194948D+01 -0.612742D+00  0.798819D+00 -0.103652D+00
               156           157           158           159           160 
      1   0.798819D+00  0.465657D-01  0.374697D+00  0.209426D-01  0.160420D+01
      2  -0.103652D+00  0.374697D+00  0.171501D+01  0.132550D+01  0.120795D+00
      3  -0.100601D+00  0.209426D-01  0.132550D+01  0.130260D+01  0.415018D+00
               161           162           163           164           165 
      1   0.120795D+00  0.415018D+00  0.425710D+00  0.395485D+00 -0.742597D+00
      2   0.219357D+01  0.261293D+01  0.395485D+00 -0.203117D+00  0.142331D+00
      3   0.261293D+01  0.742818D+01 -0.742597D+00  0.142331D+00  0.374946D+00
               166           167           168           169           170 
      1  -0.178102D+00 -0.547878D+00  0.769299D-02 -0.169580D+01 -0.262650D+00
      2  -0.547878D+00 -0.504209D+00 -0.784828D+00 -0.262650D+00 -0.140828D+01
      3   0.769299D-02 -0.784828D+00 -0.102367D+01 -0.666266D+00  0.245166D+00
               171           172           173           174           175 
      1  -0.666266D+00 -0.478389D+01  0.332202D+01 -0.116780D+00  0.342037D+01
      2   0.245166D+00  0.332202D+01 -0.370258D+01  0.444093D+00 -0.346185D+01
      3  -0.760286D+01 -0.116780D+00  0.444093D+00 -0.734329D+00  0.338347D+00
               176           177           178           179           180 
      1  -0.346185D+01  0.338347D+00  0.623663D+00 -0.487954D-01 -0.737365D+00
      2   0.558289D+01 -0.125053D+00 -0.487954D-01  0.667274D+00  0.704529D+00
      3  -0.125053D+00  0.623494D+00 -0.737365D+00  0.704529D+00 -0.474418D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.144884D+01  0.466652D+00  0.578747D+00 -0.888600D+00 -0.312336D+00
      2  -0.533549D+01 -0.122691D+01 -0.572560D+01  0.104841D+01 -0.230322D+01
      3   0.519984D+01 -0.835074D+01 -0.312717D+01 -0.379958D+01 -0.244300D+01
                 6             7             8             9            10 
      1  -0.373556D+01  0.120786D+01  0.487936D+01 -0.308621D+01  0.432284D+01
      2   0.170710D+01 -0.118772D+02 -0.329755D+01  0.854047D+01 -0.146144D+02
      3   0.474027D+01 -0.417102D+01  0.161480D+01 -0.863001D-01 -0.464513D+01
                11            12            13            14            15 
      1   0.379491D+01 -0.230568D+01  0.399339D+01 -0.154733D+01  0.710785D+01
      2  -0.661754D+01  0.270057D+01 -0.452019D+01  0.662531D+01 -0.191229D+01
      3  -0.625203D+01  0.230462D+01  0.356934D+00  0.164924D+01 -0.821391D+01
                16            17            18            19            20 
      1  -0.477517D+00  0.133676D+02  0.124881D+01 -0.390800D+01  0.196515D+01
      2  -0.115932D+02 -0.342910D+01  0.101790D+02 -0.416576D+01  0.622327D+01
      3  -0.212364D+01 -0.891380D+01  0.740772D+00  0.149932D+01  0.795380D+00
                21            22            23            24            25 
      1  -0.395569D+01  0.243243D+01  0.447821D+01 -0.762914D+01 -0.378762D+01
      2   0.279944D+01  0.715440D+01 -0.480636D+01  0.417164D+01 -0.861423D+01
      3  -0.199204D+01  0.628757D+01 -0.630292D+01  0.253601D+01 -0.265353D+01
                26            27            28            29            30 
      1  -0.262504D+01 -0.627209D+01  0.291398D+01 -0.971743D+00  0.167109D+00
      2   0.481577D+01 -0.134033D+00  0.833891D+01 -0.798954D+01  0.924665D+00
      3   0.313291D+01  0.117902D+01  0.422543D+01 -0.686265D+01  0.658033D+01
                31            32            33            34            35 
      1  -0.173617D+01  0.946145D+00 -0.144976D+01  0.146150D+01  0.582277D+01
      2  -0.120966D+02 -0.104938D+01  0.175574D+01 -0.171407D+01 -0.113136D+01
      3  -0.122697D+00 -0.437349D+01  0.232506D+01  0.886036D+01  0.207246D+01
                36            37            38            39            40 
      1   0.698779D+00 -0.341343D+01 -0.164794D+01  0.426720D+01  0.128991D+01
      2   0.280059D+01  0.128612D+01  0.375204D+01  0.496730D+01  0.322850D+01
      3  -0.271070D+01 -0.107142D+01 -0.318942D+01 -0.134466D+00  0.723845D+01
                41            42            43            44            45 
      1  -0.628985D-01 -0.101607D+02  0.166964D+01 -0.227743D+01 -0.444990D+01
      2  -0.683399D+01 -0.489614D+01  0.332856D+01 -0.199983D+01 -0.824513D+01
      3   0.123301D+02  0.294242D+01  0.460499D+01  0.575130D+01  0.209231D+01
                46            47            48            49            50 
      1   0.120487D+01  0.289205D+00 -0.112242D+01  0.406252D+00 -0.744627D+00
      2  -0.240315D+01 -0.926576D+00  0.401891D+01  0.181931D-01 -0.644303D+00
      3  -0.709261D-01 -0.136872D+01 -0.546872D+00  0.164739D+01  0.971293D+00
                51            52            53            54            55 
      1  -0.888511D+00 -0.254674D+01  0.163132D+01  0.538144D+01 -0.293127D+01
      2   0.201084D+00  0.407888D+01  0.331970D+01 -0.149230D+02  0.878149D+01
      3   0.987699D+00 -0.751663D+00  0.444548D+01 -0.342208D+00  0.537418D+01
                56            57            58            59            60 
      1  -0.777784D+00 -0.154176D+01  0.273949D+00  0.729124D+00 -0.101059D+01
      2   0.227784D+01  0.604977D+01  0.247516D+00  0.845150D+00  0.523212D+00
      3  -0.322711D+01  0.130415D+01  0.372449D+00 -0.125612D+01 -0.170804D+01
                61            62            63            64            65 
      1  -0.242853D+01 -0.256183D-01 -0.115749D+01  0.129358D+01  0.120672D+01
      2   0.575886D+01  0.288980D+01  0.390874D+01  0.180680D+00 -0.128664D+01
      3   0.314369D+01 -0.308285D+01  0.724552D+00 -0.266421D-01 -0.224087D+01
                66            67            68            69            70 
      1   0.288231D+01 -0.442206D+00  0.345398D+01  0.325231D+01  0.184622D+01
      2  -0.231558D+01 -0.164537D+01 -0.153343D+00 -0.111437D+01 -0.348718D+01
      3  -0.144158D+01 -0.145525D+00  0.119097D+00 -0.620818D+00 -0.107764D+01
                71            72            73            74            75 
      1   0.503199D+01  0.882687D+01 -0.124725D+01 -0.190943D+01 -0.208249D+00
      2  -0.609942D+00 -0.355631D+01  0.903622D+00  0.120931D+01  0.129386D+01
      3  -0.666549D+00 -0.204484D+01  0.118004D+01 -0.435028D+00  0.765894D+00
                76            77            78            79            80 
      1  -0.156880D+01 -0.744292D+01 -0.167214D+01  0.738138D+00  0.113166D+01
      2   0.300110D+01  0.131144D+01 -0.241273D-01 -0.121060D+01 -0.207483D+00
      3   0.539344D+01  0.633379D+00 -0.214071D+00  0.311694D+00  0.275413D+00
                81            82            83            84            85 
      1  -0.646388D-01  0.544822D-01 -0.142252D+01 -0.892984D-01 -0.165605D+00
      2  -0.290038D-01 -0.223133D+00  0.114913D+01  0.355241D+01  0.160403D+00
      3   0.125247D+00  0.164686D+00 -0.294029D+01 -0.175037D+01 -0.761820D-02
                86            87            88            89            90 
      1   0.110345D+01 -0.688355D+00  0.138891D+00  0.245796D+01 -0.362217D+00
      2  -0.311604D+00 -0.834316D+00 -0.221578D+01 -0.322078D+00 -0.591617D+01
      3   0.330449D+01  0.188620D+01 -0.195339D+01  0.314988D+01  0.205944D+01
                91            92            93            94            95 
      1   0.167884D+01 -0.572009D+01  0.164007D+01 -0.766147D+01 -0.396014D+01
      2  -0.154024D+01  0.105408D+02  0.754430D+01  0.119329D+02  0.463561D+01
      3  -0.877490D+01  0.369239D+01 -0.118817D+02  0.117066D+02  0.482717D+01
                96            97            98            99           100 
      1   0.187384D-01  0.281689D+01  0.443475D+01  0.152233D+01 -0.772941D+00
      2  -0.595375D+01  0.577282D+00 -0.654476D+01 -0.736069D+01  0.524412D+01
      3   0.104739D+01 -0.126016D+02 -0.669466D+00  0.460837D+01 -0.298334D+01
               101           102           103           104           105 
      1  -0.564733D+00  0.175395D+01  0.486144D+00  0.472755D+00 -0.210533D+01
      2  -0.286657D+01 -0.532024D+01 -0.274365D+01  0.337568D+01  0.468345D+01
      3   0.187552D+01  0.377978D+01  0.219969D+01 -0.424404D+01 -0.386801D+01
               106           107           108           109           110 
      1   0.624500D+00  0.125687D+01 -0.425290D+01 -0.339496D+01  0.283803D+01
      2  -0.554304D+01  0.506904D+01  0.125981D+02  0.176253D+01 -0.124286D+01
      3   0.383956D+01 -0.427753D+01 -0.588479D+01  0.902835D+01 -0.825344D+01
               111           112           113           114           115 
      1  -0.149478D+01  0.220067D+01 -0.222537D+01  0.214861D+00 -0.225290D+01
      2   0.506146D+01 -0.231744D+01  0.779120D+00 -0.308707D+01  0.150614D+01
      3   0.439643D+01 -0.575499D+01  0.702949D+01 -0.250839D+01  0.451044D+01
               116           117           118           119           120 
      1   0.202780D+01 -0.149571D+01  0.178329D+01  0.238709D+01 -0.197159D+01
      2  -0.658326D+00  0.467658D+01 -0.226922D+01 -0.334919D+01  0.301470D+01
      3  -0.295209D+01  0.253916D+01 -0.174616D+01 -0.554784D+01  0.194069D+01
               121           122           123           124           125 
      1   0.277287D+01  0.426231D+01 -0.491291D+01 -0.143534D+01 -0.183999D+01
      2  -0.326962D+01 -0.475803D+01  0.544504D+01  0.977705D+00  0.423094D+01
      3  -0.310698D+01 -0.125569D+02  0.294450D+01  0.167639D+01  0.547564D+01
               126           127           128           129           130 
      1   0.330290D+01 -0.240663D+01 -0.292134D+01 -0.111050D+00 -0.262756D+01
      2  -0.463400D+01  0.151821D+01  0.243181D+01  0.193677D+01  0.696371D+00
      3  -0.338169D+01  0.435722D+01  0.648024D+01  0.311571D+01  0.120958D+02
               131           132           133           134           135 
      1  -0.765904D+01  0.214818D+01  0.961134D+00  0.100209D+02  0.128153D+02
      2   0.238627D+01 -0.594470D+00 -0.408340D+01 -0.160573D+01 -0.366899D+01
      3  -0.518143D+01 -0.504237D+00  0.275537D+01 -0.105817D+01  0.917772D+00
               136           137           138           139           140 
      1   0.361363D+01  0.196568D-01  0.109552D+01 -0.796662D+00  0.423463D+01
      2   0.169894D+01 -0.199611D+01  0.208985D+01 -0.146802D+01  0.368038D+01
      3  -0.819474D+01 -0.628919D+01 -0.338643D+01  0.105550D+00  0.845443D+01
               141           142           143           144           145 
      1  -0.501007D+01  0.727905D+00  0.118187D+01 -0.104662D+02  0.181629D+01
      2  -0.218886D+01 -0.288285D+01 -0.267593D+01 -0.493450D+01 -0.249325D+00
      3  -0.216792D+01 -0.331150D+01 -0.356170D+01  0.176218D+01  0.183668D+01
               146           147           148           149           150 
      1   0.157744D+01 -0.130840D+01  0.135032D+01  0.586071D+01 -0.599870D+01
      2  -0.951239D+00  0.109894D+01  0.943205D-02 -0.198483D+01  0.154974D+01
      3   0.205436D+00 -0.130182D+01  0.513831D+01 -0.243789D+01  0.322275D+00
               151           152           153           154           155 
      1  -0.103414D+01 -0.392570D+01  0.204129D+01 -0.184539D+01  0.144803D+00
      2  -0.917503D+00  0.141015D+01 -0.446029D+00  0.543259D+00 -0.607681D-01
      3  -0.330730D+01  0.102207D+01 -0.255240D+00 -0.110124D+01 -0.138017D+01
               156           157           158           159           160 
      1   0.498157D+00  0.137328D+00 -0.185805D+01 -0.295529D+01 -0.508580D+00
      2   0.772589D+00 -0.385296D+00  0.687272D+00  0.859709D+00 -0.291353D+01
      3   0.172760D+01  0.264559D+00  0.486908D-01 -0.746200D+00  0.423430D+01
               161           162           163           164           165 
      1  -0.143600D+01 -0.159234D+02  0.122467D+01 -0.366858D-01 -0.836574D+00
      2   0.142815D+01  0.489836D+01  0.130115D+01  0.131025D+00  0.170178D+00
      3  -0.116725D+01 -0.580328D+00  0.115130D+01 -0.256565D+00 -0.120509D+01
               166           167           168           169           170 
      1   0.726176D+00  0.207813D+01  0.108350D+01  0.994236D+00  0.368966D+01
      2  -0.702377D+00 -0.112708D+00  0.124215D+01 -0.392871D+01 -0.266668D+00
      3   0.351145D+00 -0.167144D+01 -0.662381D+00 -0.308805D+01 -0.156969D+01
               171           172           173           174           175 
      1   0.114862D+02 -0.143546D+01  0.128259D+01  0.206244D+01  0.745960D+00
      2   0.702368D+01 -0.168663D+01  0.118970D+01  0.253095D+01  0.165138D+01
      3  -0.777608D+00 -0.547094D+01 -0.891569D+00  0.462284D+00  0.476306D+01
               176           177           178           179           180 
      1  -0.219765D+01 -0.277368D+01  0.135284D+01 -0.368040D+00  0.596837D+00
      2  -0.136847D+01 -0.153349D+01 -0.229699D+00 -0.481902D+00  0.150863D+00
      3   0.116701D+01  0.553705D+00  0.110250D+01  0.979134D+00 -0.685119D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.207246D+02 -0.136858D+02 -0.913907D+01 -0.187965D+01  0.205669D+01
      2   0.131402D+02  0.130870D+02  0.226994D+01  0.446242D+01  0.545825D+01
      3   0.758436D+01  0.598882D+00  0.686913D+01 -0.258278D+01 -0.751495D+01
      4  -0.129570D+02 -0.710625D+01 -0.562742D+01  0.432251D+01  0.672389D+01
      5  -0.109828D+02 -0.256223D+01 -0.114554D+02 -0.271249D+00 -0.292972D+01
      6  -0.313622D+01  0.105322D+00 -0.140017D+01 -0.342302D+00 -0.113636D+01
                 6             7             8             9            10 
      1  -0.130868D+01 -0.120512D+02 -0.425727D+01 -0.986009D+01 -0.151724D+00
      2   0.230494D+00  0.188599D+01 -0.206561D+01  0.158202D+02 -0.790717D+01
      3   0.107818D+01  0.101652D+02  0.632288D+01 -0.596010D+01  0.805889D+01
      4  -0.456140D+01 -0.868416D+01 -0.346803D+01 -0.807543D+01  0.129521D+02
      5  -0.197603D+00 -0.156076D+02 -0.483426D+01  0.159603D+02  0.568256D+01
      6   0.140537D+01 -0.518843D+01 -0.790907D+00  0.972325D+01 -0.143911D+01
                11            12            13            14            15 
      1  -0.181446D+01 -0.417699D+01  0.441925D-01 -0.595944D+00  0.186894D+01
      2   0.100154D+02 -0.517984D+00  0.508087D+01 -0.139879D+02 -0.352787D+01
      3  -0.820098D+01  0.469497D+01 -0.512506D+01  0.145838D+02  0.165893D+01
      4  -0.159892D+02 -0.247314D+01 -0.251723D+02  0.201960D+02  0.947437D+01
      5  -0.153311D+01 -0.370433D+00 -0.574820D+01  0.554031D+01  0.468749D+01
      6   0.603060D+01  0.104025D+01  0.273860D+01 -0.123713D+02 -0.101964D+02
                16            17            18            19            20 
      1   0.501160D+01  0.861455D+00  0.358582D+01 -0.465487D+01  0.563506D+01
      2   0.412422D+00 -0.953838D+01 -0.870568D+01  0.244023D+01 -0.490112D+01
      3  -0.542403D+01  0.867692D+01  0.511986D+01  0.221464D+01 -0.733942D+00
      4  -0.100382D+02  0.164974D+02  0.581509D+01 -0.623192D+01  0.564689D+01
      5   0.377812D+01  0.160753D+01  0.783275D+01 -0.540538D+01  0.159272D+01
      6   0.855335D+00 -0.330407D+01 -0.488885D+01 -0.305618D+01  0.245216D+01
                21            22            23            24            25 
      1   0.453514D+01  0.894391D+01  0.129128D+02  0.469333D+01 -0.315707D+00
      2   0.546288D+01 -0.791571D+01 -0.175857D+02  0.929667D+01  0.340463D+01
      3  -0.999802D+01 -0.102820D+01  0.467289D+01 -0.139900D+02 -0.308892D+01
      4   0.506165D+00  0.553093D+01 -0.639160D+01  0.693378D+00  0.213604D+01
      5   0.297618D+01  0.300178D+01  0.251518D+01 -0.284153D+01  0.262940D+01
      6   0.984011D+00  0.337020D+01  0.121365D+02  0.914479D-01 -0.453697D+00
                26            27            28            29            30 
      1   0.471131D+01  0.110613D+02 -0.377715D+00 -0.553991D+01  0.433140D+01
      2   0.629034D+01  0.936959D+01  0.226427D+01 -0.342772D+00 -0.441852D+01
      3  -0.110017D+02 -0.204309D+02 -0.188655D+01  0.588268D+01  0.871187D-01
      4  -0.966936D+00 -0.314050D+01 -0.715326D+00 -0.213096D+01 -0.888327D+01
      5  -0.224884D+01 -0.868812D+01  0.754019D+01 -0.999858D+01 -0.148153D+02
      6   0.253096D+01  0.108518D+01 -0.425653D+01 -0.312857D+01  0.137312D+01
                31            32            33            34            35 
      1  -0.764928D+01  0.350544D+01 -0.111699D+02  0.225033D+00 -0.109800D+02
      2   0.173074D+01 -0.123214D+01  0.534134D+01 -0.467031D+01  0.609124D+01
      3   0.591854D+01 -0.227330D+01  0.582851D+01  0.444528D+01  0.488873D+01
      4  -0.576140D+01  0.602655D+01 -0.141058D+01 -0.890172D+01 -0.495439D+01
      5  -0.146614D+02 -0.231620D+01  0.525246D+01 -0.134628D+02  0.453588D+01
      6  -0.168264D+01 -0.156864D+01 -0.430262D+01  0.147620D+01 -0.216235D+01
                36            37            38            39            40 
      1  -0.107476D+02  0.202755D+02 -0.655064D+01 -0.268770D+01 -0.549083D+01
      2   0.745538D+01 -0.529321D+00 -0.759093D+01  0.159061D+01 -0.961369D+01
      3   0.329218D+01 -0.197462D+02  0.141416D+02  0.109709D+01  0.151045D+02
      4   0.358880D+01 -0.295163D+02  0.307674D+02  0.622298D+01  0.350809D+02
      5   0.185561D+02 -0.613581D+01  0.354086D+01  0.924729D+01  0.566621D+01
      6  -0.624159D+01  0.559898D+01 -0.401107D+01 -0.599926D+01 -0.532979D+01
                41            42            43            44            45 
      1  -0.126550D+02 -0.525489D+01 -0.154374D+01 -0.547078D+01 -0.640390D+01
      2   0.383254D+02  0.674483D+01  0.151491D+00  0.866673D+01  0.287682D+01
      3  -0.256703D+02 -0.148994D+01  0.139225D+01 -0.319595D+01  0.352709D+01
      4  -0.468112D+02 -0.105624D+02  0.107082D+02 -0.137564D+02 -0.141998D+02
      5  -0.673709D+01 -0.996985D+01  0.111220D+02 -0.114623D+02 -0.122234D+02
      6   0.157837D+02  0.175464D+02 -0.749582D+01  0.188324D+02  0.132791D+02
                46            47            48            49            50 
      1   0.866008D+01  0.283437D+01 -0.449891D+01 -0.531197D-01 -0.182800D+01
      2  -0.821909D+01 -0.244445D+01  0.523014D+01  0.787646D+00  0.851995D-01
      3  -0.440989D+00 -0.389914D+00 -0.731228D+00 -0.734526D+00  0.174281D+01
      4   0.538210D+01  0.454598D+01 -0.284255D+01  0.362938D+01  0.135627D+01
      5  -0.779278D+01 -0.156540D+01  0.107525D+02  0.264211D+00 -0.379670D+01
      6  -0.305997D+01 -0.138020D+01  0.237297D+01 -0.216862D+01 -0.210114D+01
                51            52            53            54            55 
      1   0.162457D+01 -0.692091D+01  0.250671D+01 -0.297240D+00  0.475404D+02
      2  -0.195971D+01  0.104310D+02 -0.310215D+00 -0.182752D+02 -0.264402D+02
      3   0.335137D+00 -0.351005D+01 -0.219649D+01  0.185725D+02 -0.211002D+02
      4  -0.415518D+01 -0.417033D+01 -0.643304D+01  0.736821D+01  0.209049D+02
      5   0.796646D+00  0.165325D+02  0.471309D+01 -0.281408D+02  0.150787D+02
      6   0.588443D+01  0.514782D+01  0.592258D+01 -0.122923D+02  0.327336D+01
                56            57            58            59            60 
      1   0.964543D+01  0.115519D+02  0.103817D+01  0.346471D+01  0.101198D+01
      2  -0.446838D+01 -0.697112D+01  0.133907D+01  0.242182D+00  0.393437D+00
      3  -0.517706D+01 -0.458077D+01 -0.237723D+01 -0.370689D+01 -0.140542D+01
      4   0.133556D+02  0.494051D+01  0.957577D+01  0.555630D+01  0.376409D+01
      5   0.284321D+01  0.113724D+02  0.141662D+01  0.403451D+01  0.138999D+01
      6   0.122331D+01  0.303826D+01  0.136762D+01  0.101088D+01  0.235258D+01
                61            62            63            64            65 
      1   0.180982D+02  0.334322D+01  0.883119D+01  0.104535D+01 -0.790055D+00
      2  -0.114894D+02 -0.202077D+00 -0.827736D+01 -0.509054D+01  0.380630D+00
      3  -0.660885D+01 -0.314115D+01 -0.553831D+00  0.404519D+01  0.409425D+00
      4   0.855503D+01  0.707064D+01  0.664664D+01  0.129312D+00  0.103185D+01
      5   0.146889D+02  0.516891D+01  0.949330D+01  0.449878D+01  0.764401D+00
      6   0.423884D+01  0.309627D+01  0.187425D+01  0.300837D+00  0.107296D+01
                66            67            68            69            70 
      1  -0.454091D+01 -0.812878D+00 -0.410227D+01 -0.474617D+01 -0.193448D+01
      2  -0.456845D+01  0.870797D+00 -0.901882D+00 -0.576468D+01 -0.249535D+01
      3   0.910936D+01 -0.579187D-01  0.500415D+01  0.105109D+02  0.442982D+01
      4  -0.564397D+00 -0.927205D+00  0.164107D+01  0.107936D+01 -0.179785D+01
      5   0.792609D+01  0.147887D+01  0.105152D+01  0.172976D+01  0.607007D+01
      6  -0.235481D+01  0.604581D+00  0.966827D+00  0.343296D+01 -0.681879D+00
                71            72            73            74            75 
      1  -0.154501D+01 -0.230738D+02  0.299929D+00 -0.135064D+01  0.681293D+00
      2  -0.374561D+01 -0.192926D+02  0.266033D+01  0.239470D+01 -0.402172D+00
      3   0.529062D+01  0.423664D+02 -0.296026D+01 -0.104406D+01 -0.279122D+00
      4   0.869072D+00  0.102292D+01  0.429859D+01  0.773702D+01 -0.190202D+01
      5   0.803479D+00  0.725988D+01 -0.218304D+01 -0.326678D+01  0.305688D+01
      6   0.470549D+01 -0.645441D+01 -0.255674D+01 -0.318220D+01  0.220508D+01
                76            77            78            79            80 
      1  -0.209725D+01 -0.208089D+02  0.773167D+01 -0.426536D+00  0.291056D+01
      2   0.414358D+01  0.305087D+02 -0.620040D+01  0.654115D-01 -0.100234D+01
      3  -0.204633D+01 -0.969985D+01 -0.153127D+01  0.361124D+00 -0.190822D+01
      4   0.762177D+01  0.804933D+01 -0.207470D+01 -0.918194D+00 -0.105562D+01
      5  -0.246237D+01 -0.263501D+01  0.180545D+01  0.168818D+01  0.208059D+01
      6  -0.338827D+01 -0.197602D+02  0.114350D+02  0.162289D+01  0.807798D+01
                81            82            83            84            85 
      1  -0.553419D+01  0.143835D+02 -0.897181D+00 -0.756625D+01 -0.175998D+01
      2   0.172980D+01 -0.124239D+02  0.150260D+01  0.943289D+01  0.238655D+01
      3   0.380439D+01 -0.195958D+01 -0.605424D+00 -0.186664D+01 -0.626571D+00
      4   0.181413D+01 -0.373661D+01  0.606610D+01  0.497991D+01  0.607074D+01
      5  -0.680827D+00 -0.165748D+02  0.519153D+01  0.178018D+02  0.572745D+01
      6  -0.513990D+01  0.365106D+01 -0.154857D+01 -0.247330D+01 -0.307179D+01
                86            87            88            89            90 
      1  -0.584418D+00  0.120168D+01 -0.738172D+01  0.468795D+00  0.139913D+01
      2  -0.123537D+00 -0.253378D+01  0.107133D+02 -0.205882D+01 -0.156678D+02
      3   0.707955D+00  0.133210D+01 -0.333156D+01  0.159002D+01  0.142686D+02
      4  -0.501372D+01 -0.532409D+01  0.398409D+01 -0.474423D+01 -0.665607D+01
      5  -0.622217D+01 -0.678231D+01  0.183579D+02 -0.578935D+01 -0.272799D+02
      6   0.353160D+01  0.718007D+01 -0.389462D+01  0.527274D+01  0.617814D+01
                91            92            93            94            95 
      1  -0.147988D+02  0.905974D+01 -0.155404D+02  0.152936D+02 -0.907526D+01
      2   0.101618D+02 -0.118778D+02  0.948888D+01 -0.169728D+02 -0.859210D+00
      3   0.463702D+01  0.281804D+01  0.605156D+01  0.167919D+01  0.993447D+01
      4   0.832062D+01 -0.880117D+01  0.158943D+02 -0.112200D+02 -0.145418D+02
      5  -0.826714D+01  0.192906D+02  0.284757D+01  0.241505D+02  0.719713D+01
      6   0.501588D+01  0.681985D+01  0.731177D+01  0.700026D+01  0.539171D+01
                96            97            98            99           100 
      1   0.228101D+02 -0.121752D+02  0.215478D+02  0.104910D+02 -0.576614D+01
      2  -0.728899D+01  0.109270D+02 -0.524810D+01 -0.454749D+01  0.167431D+01
      3  -0.155212D+02  0.124818D+01 -0.162997D+02 -0.594350D+01  0.409183D+01
      4   0.108036D+02  0.201947D+02  0.133247D+02 -0.243373D+01 -0.370869D+01
      5  -0.179727D+01  0.938653D+00 -0.301109D+01 -0.614398D+01 -0.241461D+00
      6  -0.383588D+01  0.661291D+01 -0.445419D+01 -0.429678D+01  0.226977D+01
               101           102           103           104           105 
      1   0.328387D+01  0.963699D+01  0.278550D+01 -0.627535D+01 -0.902650D+01
      2  -0.208246D+01 -0.193446D+01 -0.649660D+00  0.556122D+01  0.371947D+01
      3  -0.120140D+01 -0.770253D+01 -0.213584D+01  0.714138D+00  0.530703D+01
      4  -0.951659D+00 -0.164958D+01  0.340570D+01  0.596824D+01  0.251193D+01
      5  -0.313220D+01 -0.354050D+01 -0.163140D+01  0.308998D+01  0.523134D+01
      6  -0.450719D+01 -0.577357D+01 -0.206202D+01  0.655526D+01  0.903989D+01
               106           107           108           109           110 
      1   0.104367D+02 -0.915552D+01 -0.165986D+02  0.487649D+02 -0.115397D+02
      2  -0.424383D+01  0.378816D+01 -0.132696D+01 -0.294443D+02  0.847548D+01
      3  -0.619285D+01  0.536736D+01  0.179256D+02 -0.193206D+02  0.306422D+01
      4   0.127208D+01  0.433662D+01  0.409505D+01 -0.626063D+01  0.112522D+02
      5   0.269037D+01  0.582055D+01  0.148811D+02  0.203072D+02 -0.630928D+01
      6  -0.240886D+01  0.965390D+01  0.147284D+02 -0.987738D+00  0.179919D+01
               111           112           113           114           115 
      1   0.136615D+02 -0.229653D+02  0.963576D+01 -0.759645D+01  0.146513D+02
      2  -0.112280D+02  0.149220D+02 -0.498180D+01  0.593687D+01 -0.118848D+02
      3  -0.243346D+01  0.804332D+01 -0.465396D+01  0.165957D+01 -0.276651D+01
      4  -0.322362D+01  0.104276D+02 -0.100480D+02  0.288789D+01 -0.349983D+01
      5   0.139694D+02 -0.117203D+02  0.479851D+01 -0.821544D+01  0.150762D+02
      6  -0.454102D+00  0.189667D+01 -0.360375D+01  0.223304D+01 -0.846364D+00
               116           117           118           119           120 
      1  -0.501262D+01  0.750363D+01  0.167587D+02  0.861179D+01 -0.276952D+01
      2   0.387932D+01 -0.851217D+01 -0.454531D+01  0.168291D+01 -0.256201D+00
      3   0.113329D+01  0.100854D+01 -0.122133D+02 -0.102947D+02  0.302572D+01
      4   0.251930D+01 -0.225070D+01  0.160216D+02  0.177850D+02 -0.657130D+01
      5  -0.426683D+01  0.123489D+02 -0.363127D+01 -0.552838D+01  0.583640D+01
      6   0.295689D+01  0.343359D+00 -0.238760D+01 -0.147538D+01  0.173682D+01
               121           122           123           124           125 
      1   0.110741D+02  0.478818D+01 -0.326851D+01 -0.829144D+01 -0.427424D+01
      2   0.258917D+01  0.143332D+02 -0.295913D+01  0.148120D+01 -0.376339D+01
      3  -0.136632D+02 -0.191214D+02  0.622764D+01  0.681024D+01  0.803762D+01
      4   0.231578D+02  0.332288D+02 -0.887069D+01 -0.120158D+02 -0.146002D+02
      5  -0.558211D+01 -0.765468D+01  0.838588D+01  0.671326D+01  0.847625D+01
      6  -0.222520D+01 -0.396782D+01  0.663179D+01  0.271925D+01  0.651600D+01
               126           127           128           129           130 
      1   0.559771D+00 -0.242262D+01  0.892017D+01 -0.129804D+00  0.113131D+02
      2   0.122040D+01  0.577455D+01 -0.136064D+02  0.277546D+01 -0.159467D+02
      3  -0.178017D+01 -0.335193D+01  0.468626D+01 -0.264566D+01  0.463359D+01
      4   0.854393D+01  0.355346D+01  0.958241D+00  0.508157D+01  0.157538D+01
      5  -0.930258D+01  0.214123D+01  0.139167D+01 -0.234427D+00 -0.718726D+00
      6  -0.574193D+01  0.607724D+01  0.330884D+01  0.537458D-02  0.420423D+01
               131           132           133           134           135 
      1   0.140052D+02 -0.461373D+01 -0.357230D+00 -0.372707D+01  0.142035D+02
      2  -0.266718D+02  0.111315D+02  0.344370D+01  0.156654D+02 -0.905869D+01
      3   0.126665D+02 -0.651773D+01 -0.308647D+01 -0.119384D+02 -0.514477D+01
      4  -0.159433D+02  0.537131D+01  0.465737D+01  0.650026D+01 -0.255787D+01
      5   0.393463D+01 -0.839650D+00  0.712915D+00 -0.278544D+01 -0.589632D+01
      6   0.133256D+02 -0.723480D+01 -0.844718D+00 -0.122931D+02 -0.246185D+02
               136           137           138           139           140 
      1   0.287935D+01 -0.360381D+00  0.136882D+01 -0.278551D+01 -0.796543D+01
      2  -0.119655D+02  0.109502D+02 -0.273160D+01  0.129809D+02 -0.597910D+00
      3   0.908619D+01 -0.105899D+02  0.136278D+01 -0.101954D+02  0.856334D+01
      4   0.103304D+02 -0.196040D+02 -0.885095D+00 -0.178169D+02  0.128699D+02
      5   0.164612D+01  0.264012D+01  0.205303D+01  0.350665D+01 -0.438139D+00
      6  -0.305395D+01 -0.247338D+01 -0.144088D+01 -0.248815D+01 -0.377706D+01
               141           142           143           144           145 
      1   0.526895D+01  0.135095D+01  0.389260D+01  0.742096D+01 -0.931953D+00
      2  -0.152176D+01 -0.449916D+00 -0.501279D+01  0.106613D+02  0.666479D+01
      3  -0.374719D+01 -0.901032D+00  0.112019D+01 -0.180823D+02 -0.573284D+01
      4  -0.965256D+00 -0.693123D+00  0.272109D+01  0.520828D-01  0.803774D+01
      5  -0.236283D+01  0.251983D+01 -0.134035D+01 -0.863953D+01 -0.161657D+01
      6   0.506097D+01 -0.203970D-01  0.393241D+01  0.149895D+02 -0.397478D+01
               146           147           148           149           150 
      1  -0.327049D+01  0.544495D-01 -0.446803D+01 -0.314258D+02  0.568964D+01
      2   0.996342D+01 -0.130786D+01  0.115552D+02  0.588715D+02 -0.102327D+02
      3  -0.669292D+01  0.125341D+01 -0.708714D+01 -0.274457D+02  0.454308D+01
      4   0.133315D+02 -0.343655D+01  0.122558D+02  0.226348D+02 -0.399731D+01
      5  -0.179044D+01  0.248739D+01 -0.160163D+01 -0.282089D+01  0.270808D+01
      6  -0.248537D+01  0.205320D+01 -0.268010D+01 -0.135714D+02  0.104461D+02
               151           152           153           154           155 
      1   0.992256D+00  0.102671D+02 -0.719919D+01  0.321135D+00 -0.629943D-01
      2  -0.305993D+01 -0.172675D+02  0.796416D+01 -0.230059D+01  0.732011D+00
      3   0.206767D+01  0.700039D+01 -0.764971D+00  0.197945D+01 -0.669016D+00
      4  -0.536210D+01 -0.716423D+01  0.412132D+01 -0.629198D+00  0.292601D+01
      5   0.248619D+01  0.352582D+01 -0.170669D+01  0.980742D+00  0.149643D+01
      6   0.298782D+01  0.134950D+02 -0.590211D+01  0.358395D+01 -0.820878D+00
               156           157           158           159           160 
      1   0.145387D+01 -0.132488D+01 -0.726417D+01 -0.534927D+01  0.132019D+01
      2  -0.132547D+01  0.200435D+01  0.844799D+01  0.407856D+01 -0.104847D+01
      3  -0.128396D+00 -0.679464D+00 -0.118381D+01  0.127071D+01 -0.271725D+00
      4   0.359830D+01  0.198715D+01  0.277716D+01  0.112375D+01  0.539981D+01
      5   0.548625D+01  0.842649D+00  0.115822D+01  0.116088D+01  0.433029D+01
      6  -0.684909D+00  0.128200D+00  0.666613D+01  0.985633D+01  0.197415D+01
               161           162           163           164           165 
      1  -0.982160D+01 -0.187943D+02 -0.140867D+01 -0.391199D+00  0.167064D+01
      2   0.735005D+01  0.618213D+00 -0.550368D+00 -0.969929D+00  0.125416D+00
      3   0.247155D+01  0.181761D+02  0.195904D+01  0.136113D+01 -0.179606D+01
      4   0.238517D+01  0.342411D+01 -0.727421D-01  0.365821D+01 -0.121332D+01
      5   0.314375D+01  0.837986D+01  0.782916D+00 -0.138589D+00  0.469846D+01
      6   0.163762D+02  0.327793D+02 -0.113289D+01  0.285255D+00  0.183754D+01
               166           167           168           169           170 
      1   0.106062D+01 -0.480035D+00 -0.376505D+00  0.201419D+01  0.367442D+01
      2  -0.258525D+01 -0.121608D+01 -0.367878D+01 -0.260544D+01 -0.391090D+01
      3   0.152463D+01  0.169611D+01  0.405529D+01  0.591259D+00  0.236479D+00
      4   0.292950D+01 -0.954892D+00  0.117721D+01 -0.283038D+01  0.258338D+01
      5   0.360912D+00  0.102154D+01  0.262954D+01  0.526728D+01 -0.614351D+00
      6   0.200959D+00 -0.968415D+00  0.254957D+01 -0.166624D+01  0.524454D+01
               171           172           173           174           175 
      1  -0.144312D+02  0.102470D+02 -0.155614D+01 -0.375154D+00 -0.356861D+00
      2  -0.146865D+02  0.466650D+01 -0.109905D+02  0.525029D+00 -0.109886D+02
      3   0.291177D+02 -0.149135D+02  0.125467D+02 -0.149875D+00  0.113455D+02
      4  -0.254097D+01 -0.259668D+02  0.243850D+02 -0.117048D+01  0.232810D+02
      5   0.116449D+02  0.231357D+01 -0.214561D+01  0.422958D+01 -0.201841D+01
      6  -0.178530D+02 -0.729393D+00  0.191531D+01 -0.337741D+01  0.206850D+01
               176           177           178           179           180 
      1  -0.655083D+01  0.289004D+00 -0.146291D+01 -0.460543D+00 -0.166623D+01
      2   0.248095D+02 -0.164042D+00  0.270675D+00  0.187383D+01  0.108445D+01
      3  -0.182587D+02 -0.124962D+00  0.119223D+01 -0.141328D+01  0.581775D+00
      4  -0.271881D+02  0.117561D+01  0.200435D+01 -0.166463D+01 -0.463726D+01
      5   0.120909D+01 -0.277106D+01  0.342239D+01 -0.338748D+01  0.486045D+00
      6  -0.176116D+01  0.474887D+01 -0.399861D+01  0.525532D+01 -0.770165D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 24 17:01:19 2021, MaxMem= 16106127360 cpu:            7847.2 elap:             491.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25097 -10.38713 -10.31542 -10.30643 -10.30513
 Alpha  occ. eigenvalues --  -10.30286 -10.30188 -10.29159  -1.13369  -0.94064
 Alpha  occ. eigenvalues --   -0.86997  -0.82601  -0.78291  -0.71205  -0.67538
 Alpha  occ. eigenvalues --   -0.60811  -0.58882  -0.56055  -0.55095  -0.52496
 Alpha  occ. eigenvalues --   -0.50685  -0.49980  -0.49327  -0.47931  -0.45584
 Alpha  occ. eigenvalues --   -0.44812  -0.43747  -0.41239  -0.40828  -0.40248
 Alpha  occ. eigenvalues --   -0.32699
 Alpha virt. eigenvalues --    0.04923   0.08439   0.10150   0.10932   0.11216
 Alpha virt. eigenvalues --    0.13535   0.14067   0.14248   0.15256   0.15953
 Alpha virt. eigenvalues --    0.17733   0.18217   0.18609   0.19371   0.19907
 Alpha virt. eigenvalues --    0.21083   0.21553   0.22347   0.24105   0.24409
 Alpha virt. eigenvalues --    0.25045   0.25495   0.26269   0.26622   0.27135
 Alpha virt. eigenvalues --    0.28064   0.29656   0.30606   0.32081   0.32834
 Alpha virt. eigenvalues --    0.33122   0.34638   0.35367   0.35805   0.36531
 Alpha virt. eigenvalues --    0.37015   0.37267   0.37469   0.38574   0.38914
 Alpha virt. eigenvalues --    0.39932   0.40437   0.40710   0.41236   0.41689
 Alpha virt. eigenvalues --    0.42217   0.43045   0.43146   0.43562   0.44584
 Alpha virt. eigenvalues --    0.45476   0.45522   0.46210   0.47028   0.47659
 Alpha virt. eigenvalues --    0.48262   0.49174   0.50122   0.51000   0.51110
 Alpha virt. eigenvalues --    0.51851   0.52051   0.53406   0.53527   0.54322
 Alpha virt. eigenvalues --    0.55042   0.55454   0.56006   0.56760   0.57766
 Alpha virt. eigenvalues --    0.57974   0.58465   0.58671   0.59619   0.60439
 Alpha virt. eigenvalues --    0.60760   0.61175   0.61532   0.62212   0.63187
 Alpha virt. eigenvalues --    0.63418   0.65178   0.65885   0.66291   0.66860
 Alpha virt. eigenvalues --    0.66980   0.68105   0.69219   0.70488   0.70841
 Alpha virt. eigenvalues --    0.71933   0.72746   0.73340   0.74183   0.75204
 Alpha virt. eigenvalues --    0.75824   0.77132   0.78500   0.79542   0.80370
 Alpha virt. eigenvalues --    0.82302   0.83680   0.84860   0.87291   0.88579
 Alpha virt. eigenvalues --    0.91075   0.91420   0.93878   0.97826   0.99730
 Alpha virt. eigenvalues --    1.00731   1.04035   1.05801   1.06264   1.07375
 Alpha virt. eigenvalues --    1.08151   1.08968   1.10559   1.11133   1.11386
 Alpha virt. eigenvalues --    1.12648   1.13084   1.13630   1.14307   1.16263
 Alpha virt. eigenvalues --    1.16943   1.19382   1.19645   1.20871   1.22745
 Alpha virt. eigenvalues --    1.24434   1.24821   1.28388   1.30728   1.33617
 Alpha virt. eigenvalues --    1.34957   1.37422   1.40687   1.42839   1.44126
 Alpha virt. eigenvalues --    1.46307   1.47524   1.51395   1.55052   1.58477
 Alpha virt. eigenvalues --    1.61433   1.62077   1.66086   1.71326   1.71597
 Alpha virt. eigenvalues --    1.74336   1.75136   1.77065   1.77814   1.79736
 Alpha virt. eigenvalues --    1.80411   1.82542   1.85377   1.87226   1.88091
 Alpha virt. eigenvalues --    1.89335   1.90377   1.91803   1.93977   1.96101
 Alpha virt. eigenvalues --    1.99332   2.02005   2.03722   2.04266   2.05261
 Alpha virt. eigenvalues --    2.07237   2.07878   2.09542   2.10174   2.12887
 Alpha virt. eigenvalues --    2.14844   2.15595   2.19191   2.20655   2.21407
 Alpha virt. eigenvalues --    2.22674   2.24180   2.25222   2.27567   2.30206
 Alpha virt. eigenvalues --    2.32800   2.33990   2.38677   2.39636   2.43183
 Alpha virt. eigenvalues --    2.45052   2.50191   2.51702   2.54056   2.54977
 Alpha virt. eigenvalues --    2.56640   2.57761   2.61254   2.64448   2.65116
 Alpha virt. eigenvalues --    2.69581   2.71299   2.72576   2.73629   2.75710
 Alpha virt. eigenvalues --    2.78561   2.81351   2.82709   2.86274   2.88831
 Alpha virt. eigenvalues --    2.96282   2.99045   3.02707   3.04933   3.11276
 Alpha virt. eigenvalues --    3.14126   3.16042   3.17848   3.21072   3.23173
 Alpha virt. eigenvalues --    3.24070   3.26167   3.28134   3.31374   3.33373
 Alpha virt. eigenvalues --    3.36567   3.55057   3.93956
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.946257   0.198775  -0.197102  -0.104227   0.012155   0.251695
     2  C    0.198775   5.216755   0.336986   0.028130   0.244907   0.082768
     3  C   -0.197102   0.336986   4.808405   0.303404  -0.048308   0.016376
     4  C   -0.104227   0.028130   0.303404   5.796756   0.022411  -0.005351
     5  O    0.012155   0.244907  -0.048308   0.022411   8.221125  -0.007327
     6  H    0.251695   0.082768   0.016376  -0.005351  -0.007327   0.596654
     7  H    0.322703   0.098399  -0.011481  -0.002118  -0.007621  -0.056660
     8  H   -0.023493   0.009219   0.319145  -0.016851  -0.006750  -0.002842
     9  H    0.009058   0.125417   0.139757   0.041396  -0.039741   0.001774
    10  H    0.021877  -0.027263  -0.030178   0.078601   0.004015  -0.001070
    11  C    0.003860  -0.023244   0.003666   0.401948  -0.003977   0.002201
    12  H   -0.001387   0.015121  -0.011404   0.110855   0.000166  -0.000427
    13  H    0.002103  -0.006295   0.006685   0.089713   0.000009   0.000333
    14  H   -0.001575  -0.003308  -0.011837   0.061519  -0.003230  -0.000071
    15  C    0.246599  -0.005074  -0.027536   0.025561  -0.006701   0.003184
    16  C    0.094221  -0.107720  -0.035293   0.207189   0.002249   0.011821
    17  H    0.042848  -0.007124   0.011520   0.018981   0.000598  -0.038575
    18  H   -0.013785  -0.011301   0.021481   0.005637   0.000757   0.016522
    19  H   -0.004212  -0.011691  -0.026157  -0.045551   0.000677  -0.023363
    20  H    0.006663   0.017908   0.039204   0.146050  -0.001937   0.004734
               7          8          9         10         11         12
     1  C    0.322703  -0.023493   0.009058   0.021877   0.003860  -0.001387
     2  C    0.098399   0.009219   0.125417  -0.027263  -0.023244   0.015121
     3  C   -0.011481   0.319145   0.139757  -0.030178   0.003666  -0.011404
     4  C   -0.002118  -0.016851   0.041396   0.078601   0.401948   0.110855
     5  O   -0.007621  -0.006750  -0.039741   0.004015  -0.003977   0.000166
     6  H   -0.056660  -0.002842   0.001774  -0.001070   0.002201  -0.000427
     7  H    0.697351   0.004850  -0.001173   0.001097  -0.000128   0.000018
     8  H    0.004850   0.728961  -0.154908  -0.095543   0.010401  -0.004968
     9  H   -0.001173  -0.154908   1.026706   0.099844  -0.045705  -0.010193
    10  H    0.001097  -0.095543   0.099844   1.344572  -0.073950  -0.005431
    11  C   -0.000128   0.010401  -0.045705  -0.073950   4.155943   0.261047
    12  H    0.000018  -0.004968  -0.010193  -0.005431   0.261047   0.660890
    13  H    0.000052  -0.002251   0.004460   0.012067   0.305670  -0.035195
    14  H    0.000053   0.010494  -0.001589  -0.005145   0.231885  -0.014643
    15  C    0.010198   0.013657   0.014921   0.000273   0.007691   0.006857
    16  C    0.000169  -0.017486   0.018406   0.067746   0.006053  -0.032954
    17  H    0.018728   0.000760  -0.001736   0.003390  -0.001294  -0.000131
    18  H   -0.046075  -0.015166  -0.000451  -0.009147  -0.000522   0.000719
    19  H    0.003065   0.007423  -0.003660   0.050853  -0.049500   0.014709
    20  H   -0.002903   0.003660  -0.002896  -0.165080   0.001942  -0.006038
              13         14         15         16         17         18
     1  C    0.002103  -0.001575   0.246599   0.094221   0.042848  -0.013785
     2  C   -0.006295  -0.003308  -0.005074  -0.107720  -0.007124  -0.011301
     3  C    0.006685  -0.011837  -0.027536  -0.035293   0.011520   0.021481
     4  C    0.089713   0.061519   0.025561   0.207189   0.018981   0.005637
     5  O    0.000009  -0.003230  -0.006701   0.002249   0.000598   0.000757
     6  H    0.000333  -0.000071   0.003184   0.011821  -0.038575   0.016522
     7  H    0.000052   0.000053   0.010198   0.000169   0.018728  -0.046075
     8  H   -0.002251   0.010494   0.013657  -0.017486   0.000760  -0.015166
     9  H    0.004460  -0.001589   0.014921   0.018406  -0.001736  -0.000451
    10  H    0.012067  -0.005145   0.000273   0.067746   0.003390  -0.009147
    11  C    0.305670   0.231885   0.007691   0.006053  -0.001294  -0.000522
    12  H   -0.035195  -0.014643   0.006857  -0.032954  -0.000131   0.000719
    13  H    0.748721  -0.068369  -0.004666  -0.005391  -0.000413  -0.000378
    14  H   -0.068369   0.780057   0.000566   0.026927  -0.000058  -0.000414
    15  C   -0.004666   0.000566   4.530601   0.281712   0.266910   0.319004
    16  C   -0.005391   0.026927   0.281712   4.669084   0.066999   0.034135
    17  H   -0.000413  -0.000058   0.266910   0.066999   0.930717  -0.095949
    18  H   -0.000378  -0.000414   0.319004   0.034135  -0.095949   0.705859
    19  H   -0.045094   0.004345   0.042518   0.170948   0.043612  -0.028383
    20  H    0.005074   0.004968  -0.088279   0.305496  -0.046384   0.017182
              19         20
     1  C   -0.004212   0.006663
     2  C   -0.011691   0.017908
     3  C   -0.026157   0.039204
     4  C   -0.045551   0.146050
     5  O    0.000677  -0.001937
     6  H   -0.023363   0.004734
     7  H    0.003065  -0.002903
     8  H    0.007423   0.003660
     9  H   -0.003660  -0.002896
    10  H    0.050853  -0.165080
    11  C   -0.049500   0.001942
    12  H    0.014709  -0.006038
    13  H   -0.045094   0.005074
    14  H    0.004345   0.004968
    15  C    0.042518  -0.088279
    16  C    0.170948   0.305496
    17  H    0.043612  -0.046384
    18  H   -0.028383   0.017182
    19  H    0.950688  -0.223183
    20  H   -0.223183   1.201649
 Mulliken charges:
               1
     1  C    0.186967
     2  C   -0.171364
     3  C    0.392666
     4  C   -1.164052
     5  O   -0.383476
     6  H    0.147624
     7  H   -0.028525
     8  H    0.231690
     9  H   -0.219688
    10  H   -0.271529
    11  C    0.806015
    12  H    0.052390
    13  H   -0.006835
    14  H   -0.010577
    15  C    0.362001
    16  C    0.235690
    17  H   -0.213398
    18  H    0.100274
    19  H    0.171957
    20  H   -0.217831
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.306066
     2  C   -0.171364
     3  C    0.404668
     4  C   -1.435581
     5  O   -0.383476
    11  C    0.840993
    15  C    0.248877
    16  C    0.189816
 Electronic spatial extent (au):  <R**2>=            981.0558
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.7033    Y=              2.7575    Z=              1.2345  Tot=              3.4683
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.4313   YY=            -54.6171   ZZ=            -49.1314
   XY=              5.6244   XZ=              1.5774   YZ=             -2.2035
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3714   YY=             -2.5572   ZZ=              2.9285
   XY=              5.6244   XZ=              1.5774   YZ=             -2.2035
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.6853  YYY=              6.7154  ZZZ=              0.2516  XYY=             -8.8956
  XXY=              9.5756  XXZ=              4.2025  XZZ=              2.2114  YZZ=             -0.4701
  YYZ=              2.9539  XYZ=             -3.0702
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -667.2386 YYYY=           -499.3133 ZZZZ=           -163.9343 XXXY=              8.5128
 XXXZ=              5.6456 YYYX=             12.5956 YYYZ=             -7.7598 ZZZX=             -3.4851
 ZZZY=              2.4245 XXYY=           -205.0645 XXZZ=           -138.7757 YYZZ=           -109.9632
 XXYZ=             -6.6701 YYXZ=              1.4287 ZZXY=             -0.0169
 N-N= 3.912778717806D+02 E-N=-1.591319964276D+03  KE= 3.448292694487D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 24 17:01:19 2021, MaxMem= 16106127360 cpu:               4.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.35028629D-01 1.03621147D+00 4.65101343D-01
 Polarizability= 8.71451293D+01 7.37019006D-01 8.56738357D+01
                -1.69420051D+00 4.74103926D-01 7.18484302D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9283    0.9295        0.0684    0.0678
 2     -0.9283   -0.9295       -0.3909   -0.3905       -0.5469   -0.5451
 3     -0.0684   -0.0678        7.8183    7.8145        0.3901    0.3905
 4      0.3909    0.3905        0.0000    0.0000       -0.0671   -0.0678
 5     -7.2714   -7.2694        0.0671    0.0678        0.9285    0.9295
 6     -0.3901   -0.3905       -0.9285   -0.9295       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.7886   -2.7886        0.2034    0.2034
 2      1.1714    1.1714        0.0000    0.0000        0.2034    0.2034
 3      1.1714    1.1714       -2.7886   -2.7886        0.0000    0.0000
 4     -2.7886   -2.7886       -1.1714   -1.1714       -1.6352   -1.6352
 5     -0.2034   -0.2034       23.4434   23.4434        1.1714    1.1714
 6    -21.8082  -21.8082        0.2034    0.2034        2.7886    2.7886
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0705    0.0000       -3.8752   -3.7181       -0.3402   -0.2712
 2      3.8058    3.7181        1.7510    1.5619        2.2506    2.1802
 3      0.4434    0.2712      -31.2784  -31.2578       -1.5152   -1.5619
 4     -1.6987   -1.5619       -0.0546    0.0000        0.2331    0.2712
 5     29.0586   29.0776       -0.4498   -0.2712       -3.6998   -3.7181
 6      1.5325    1.5619        3.5918    3.7181       -0.0116    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0297    0.0000        7.9249    7.7421       10.4346   10.4927
 2     -7.7177   -7.7421       -4.9624   -4.8813      -16.3745  -16.9495
 3    -10.6880  -10.4927        8.4641    8.9218        5.0770    4.8813
 4      4.4354    4.8813       -0.3710    0.0000      -10.6747  -10.4927
 5      8.2895    8.0276       10.6611   10.4927        7.8546    7.7421
 6     -4.6878   -4.8813       -7.7511   -7.7421        0.0362    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.6378    8.7725        9.4490    9.6927      -12.3095  -12.2485
 2     19.2518   19.5213       13.7867   13.8968      -12.3392  -12.2485
 3     19.2520   19.5213        9.5740    9.6927      -21.2437  -21.2622
 4     -4.2125   -4.2041      -10.6051  -10.7488      -15.9120  -15.9219
 5     -9.0004   -9.0137        7.5455    7.6388       11.2588   10.7488
 6      8.4489    8.2832        9.2329    9.0137        4.3494    4.2041
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.5210   -6.3633   -0.0007   -0.0006   -0.0003    6.6701
 Low frequencies ---   59.2935   73.3413  253.6374
 Diagonal vibrational polarizability:
       13.0453635       4.3436223      16.4340118
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     59.2811                73.3276               253.6373
 Red. masses --      2.3724                 4.1820                 1.1158
 Frc consts  --      0.0049                 0.0132                 0.0423
 IR Inten    --      1.0780                 3.5435                 0.1521
 RamAct Fr= 1--      0.3298                 1.0299                 0.0806
  Dep-P Fr= 1--      0.6939                 0.6980                 0.4124
  Dep-U Fr= 1--      0.8193                 0.8222                 0.5840
 Alpha2 Fr= 1--      0.0003                 0.0009                 0.0006
 Beta2  Fr= 1--      0.0450                 0.1411                 0.0078
 AlphaG Fr= 1--     -0.0032                 0.0025                -0.0043
 Gamma2 Fr= 1--     -0.1610                 0.0504                 0.0109
 Delta2 Fr= 1--     -0.0232                -0.0623                -0.0009
 Raman1 Fr= 1--       1.319                  4.120                  0.322
 ROA1   Fr= 1--     -16.199                  2.843                  1.018
 CID1   Fr= 1--     -12.278                  0.690                  3.156
 Raman2 Fr= 1--       0.540                  1.694                  0.094
 ROA2   Fr= 1--      -3.679                  1.707                  0.268
 CID2   Fr= 1--      -6.806                  1.008                  2.850
 Raman3 Fr= 1--       1.081                  3.387                  0.188
 ROA3   Fr= 1--     -16.199                  2.843                  1.018
 CID3   Fr= 1--     -14.986                  0.839                  5.405
 RC180  Fr= 1--       0.639                  0.644                  0.168
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.03   0.17    -0.04   0.00  -0.09     0.02  -0.01   0.04
     2   6     0.02   0.02   0.00     0.06  -0.02  -0.03     0.01  -0.01   0.01
     3   6    -0.00  -0.04  -0.04    -0.04  -0.11  -0.17     0.01  -0.00   0.00
     4   6     0.01   0.01  -0.01    -0.03   0.01  -0.01    -0.00  -0.01   0.01
     5   8    -0.00   0.06  -0.10     0.28  -0.01   0.19    -0.00  -0.01   0.00
     6   1     0.32   0.08   0.25    -0.17  -0.00  -0.13     0.15  -0.03   0.08
     7   1    -0.07   0.01   0.40     0.04   0.03  -0.22    -0.04  -0.01   0.15
     8   1    -0.03  -0.11  -0.00    -0.05  -0.31  -0.09     0.00   0.02  -0.00
     9   1    -0.01  -0.05  -0.12    -0.06  -0.13  -0.35     0.01  -0.00   0.02
    10   1     0.10   0.13   0.00     0.09   0.01   0.07    -0.01  -0.05   0.02
    11   6    -0.13   0.01   0.13    -0.21   0.14   0.06    -0.01   0.02  -0.02
    12   1    -0.22  -0.11   0.12    -0.36   0.16  -0.05    -0.13   0.46  -0.31
    13   1    -0.11   0.05   0.14    -0.22   0.24   0.21    -0.29  -0.08   0.42
    14   1    -0.16   0.10   0.23    -0.21   0.14   0.06     0.38  -0.29  -0.18
    15   6    -0.02   0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.07
    16   6     0.06  -0.10  -0.14    -0.03   0.01   0.02    -0.03   0.01   0.02
    17   1    -0.01  -0.01  -0.04    -0.02   0.01   0.06    -0.00  -0.04  -0.18
    18   1    -0.16   0.07  -0.03     0.02  -0.10   0.02     0.03   0.14  -0.09
    19   1     0.21  -0.25  -0.10    -0.05   0.04   0.01    -0.10   0.03   0.01
    20   1     0.02  -0.11  -0.35    -0.02   0.02   0.05    -0.01   0.02   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    277.1194               338.0060               379.7991
 Red. masses --      1.5648                 2.2608                 1.9775
 Frc consts  --      0.0708                 0.1522                 0.1681
 IR Inten    --      0.1971                 0.3528                 0.7763
 RamAct Fr= 1--      0.0526                 0.7095                 0.7726
  Dep-P Fr= 1--      0.2794                 0.5412                 0.2389
  Dep-U Fr= 1--      0.4368                 0.7023                 0.3857
 Alpha2 Fr= 1--      0.0006                 0.0028                 0.0094
 Beta2  Fr= 1--      0.0038                 0.0830                 0.0497
 AlphaG Fr= 1--     -0.0011                 0.0076                -0.0049
 Gamma2 Fr= 1--      0.0280                 0.1038                -0.2104
 Delta2 Fr= 1--      0.0238                 0.0181                 0.0834
 Raman1 Fr= 1--       0.211                  2.838                  3.091
 ROA1   Fr= 1--       3.450                 10.542                -17.529
 CID1   Fr= 1--      16.382                  3.714                 -5.672
 Raman2 Fr= 1--       0.046                  0.997                  0.596
 ROA2   Fr= 1--       0.481                  2.345                 -5.716
 CID2   Fr= 1--      10.467                  2.353                 -9.592
 Raman3 Fr= 1--       0.092                  1.993                  1.192
 ROA3   Fr= 1--       3.450                 10.542                -17.529
 CID3   Fr= 1--      37.504                  5.289                -14.707
 RC180  Fr= 1--      -0.126                  0.405                 -0.229
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.05    -0.05   0.03  -0.05     0.08   0.00   0.01
     2   6    -0.00   0.02  -0.01     0.01   0.02   0.08     0.07   0.00  -0.03
     3   6     0.00   0.07   0.00     0.05  -0.05   0.13     0.09   0.14   0.03
     4   6     0.00   0.03  -0.06     0.04  -0.08   0.07    -0.04  -0.07  -0.05
     5   8    -0.03  -0.01   0.01    -0.03   0.05  -0.02     0.02  -0.04  -0.01
     6   1    -0.22   0.07  -0.11    -0.25  -0.05  -0.11     0.20   0.07   0.05
     7   1     0.09   0.01  -0.22     0.06   0.10  -0.24     0.00   0.03   0.14
     8   1    -0.00   0.14  -0.02    -0.00  -0.02   0.13     0.11   0.52  -0.12
     9   1     0.01   0.07   0.07     0.10  -0.07   0.13     0.19   0.16   0.42
    10   1     0.01   0.09  -0.08     0.03  -0.04   0.05    -0.05  -0.13  -0.04
    11   6    -0.02  -0.05   0.03    -0.01   0.16  -0.09    -0.14   0.01  -0.06
    12   1    -0.13   0.16  -0.14    -0.04   0.30  -0.17    -0.24  -0.09  -0.07
    13   1    -0.24  -0.17   0.29     0.10   0.39   0.02    -0.03   0.17  -0.04
    14   1     0.28  -0.19   0.04    -0.16   0.09  -0.32    -0.31   0.10  -0.05
    15   6    -0.00  -0.05   0.14    -0.04   0.00  -0.01    -0.01  -0.07   0.02
    16   6     0.06  -0.01  -0.08     0.04  -0.15  -0.02    -0.05  -0.02   0.04
    17   1     0.03   0.07   0.40    -0.11   0.00  -0.05    -0.05  -0.04   0.07
    18   1    -0.09  -0.32   0.18    -0.03   0.02  -0.02    -0.00  -0.11   0.02
    19   1     0.24  -0.06  -0.06     0.18  -0.33   0.02    -0.14   0.10   0.01
    20   1     0.04  -0.01  -0.24    -0.05  -0.21  -0.25    -0.01   0.00   0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    409.7323               465.3983               484.5947
 Red. masses --      3.2142                 2.9942                 3.5321
 Frc consts  --      0.3179                 0.3821                 0.4887
 IR Inten    --      1.3395                 4.5495                 7.5731
 RamAct Fr= 1--      1.4395                 0.6444                 0.9364
  Dep-P Fr= 1--      0.6920                 0.2094                 0.7479
  Dep-U Fr= 1--      0.8180                 0.3463                 0.8557
 Alpha2 Fr= 1--      0.0015                 0.0085                 0.0000
 Beta2  Fr= 1--      0.1962                 0.0372                 0.1335
 AlphaG Fr= 1--     -0.0046                -0.0239                -0.0014
 Gamma2 Fr= 1--      0.0694                 0.2920                -0.5681
 Delta2 Fr= 1--     -0.1950                 0.0544                 0.1338
 Raman1 Fr= 1--       5.758                  2.578                  3.745
 ROA1   Fr= 1--       0.419                 29.771                -50.256
 CID1   Fr= 1--       0.073                 11.550                -13.418
 Raman2 Fr= 1--       2.355                  0.446                  1.603
 ROA2   Fr= 1--       3.225                  6.572                -14.704
 CID2   Fr= 1--       1.369                 14.724                 -9.175
 Raman3 Fr= 1--       4.710                  0.893                  3.205
 ROA3   Fr= 1--       0.419                 29.771                -50.256
 CID3   Fr= 1--       0.089                 33.351                -15.680
 RC180  Fr= 1--       0.636                 -0.307                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14   0.05  -0.06    -0.11  -0.06   0.05    -0.07  -0.14   0.02
     2   6     0.02   0.13   0.11     0.06  -0.09   0.18    -0.12  -0.05  -0.03
     3   6    -0.07  -0.04   0.00     0.05  -0.08   0.12    -0.12   0.05   0.09
     4   6    -0.07  -0.10  -0.06     0.13  -0.01  -0.16    -0.13   0.04   0.05
     5   8    -0.10   0.12   0.02     0.04   0.03  -0.10     0.21   0.17  -0.11
     6   1    -0.09  -0.13  -0.14    -0.32  -0.22  -0.01    -0.09  -0.20   0.01
     7   1     0.27   0.09  -0.28     0.00   0.09  -0.17    -0.02  -0.31  -0.03
     8   1    -0.29  -0.18   0.12    -0.13   0.01   0.14     0.04   0.33  -0.07
     9   1     0.07  -0.11  -0.25    -0.07  -0.04   0.15    -0.18   0.11   0.46
    10   1    -0.12  -0.12  -0.08     0.13   0.02  -0.17    -0.19   0.07  -0.00
    11   6    -0.14  -0.13  -0.04    -0.05  -0.01   0.01    -0.03  -0.03  -0.01
    12   1    -0.23  -0.20  -0.06    -0.28  -0.17  -0.07     0.08   0.03   0.03
    13   1    -0.17  -0.14   0.01    -0.06   0.05   0.13    -0.08  -0.14  -0.07
    14   1    -0.11  -0.08   0.06    -0.04   0.10   0.19     0.05  -0.09  -0.04
    15   6     0.17   0.02  -0.03    -0.03   0.04  -0.01     0.10  -0.05  -0.00
    16   6     0.09  -0.03   0.09    -0.02   0.14  -0.07     0.07  -0.02   0.03
    17   1     0.04   0.00  -0.15     0.13  -0.00  -0.00     0.14  -0.13  -0.15
    18   1     0.30   0.11  -0.04    -0.10   0.05  -0.02     0.17   0.10  -0.03
    19   1     0.03   0.08   0.06    -0.16   0.43  -0.14     0.15  -0.16   0.06
    20   1     0.15   0.01   0.19    -0.05   0.08   0.26     0.13   0.06  -0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    521.5544               618.6865               722.9925
 Red. masses --      2.5700                 2.4260                 2.7736
 Frc consts  --      0.4119                 0.5471                 0.8542
 IR Inten    --      0.9538                 0.7989                 1.5092
 RamAct Fr= 1--      1.2628                 5.0325                16.8175
  Dep-P Fr= 1--      0.3380                 0.0615                 0.0264
  Dep-U Fr= 1--      0.5052                 0.1159                 0.0515
 Alpha2 Fr= 1--      0.0115                 0.0967                 0.3513
 Beta2  Fr= 1--      0.1063                 0.0972                 0.1444
 AlphaG Fr= 1--      0.0233                -0.1619                 0.2446
 Gamma2 Fr= 1--      0.3301                -0.4410                -0.2324
 Delta2 Fr= 1--     -0.2836                -0.1436                -0.1211
 Raman1 Fr= 1--       5.051                 20.130                 67.270
 ROA1   Fr= 1--      22.615                -46.928                -26.190
 CID1   Fr= 1--       4.477                 -2.331                 -0.389
 Raman2 Fr= 1--       1.276                  1.166                  1.732
 ROA2   Fr= 1--      10.192                 -9.435                 -4.610
 CID2   Fr= 1--       7.988                 -8.090                 -2.661
 Raman3 Fr= 1--       2.552                  2.333                  3.465
 ROA3   Fr= 1--      22.615                -46.928                -26.190
 CID3   Fr= 1--       8.862                -20.119                 -7.559
 RC180  Fr= 1--       0.010                 -0.768                 -0.897
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.05   0.03     0.06   0.03   0.06     0.05   0.10  -0.12
     2   6    -0.09  -0.05  -0.10     0.18  -0.09   0.08     0.02  -0.07  -0.04
     3   6     0.03  -0.03  -0.03    -0.02   0.05  -0.05    -0.02  -0.11   0.21
     4   6     0.07  -0.08  -0.05    -0.13   0.08   0.04    -0.08   0.01   0.07
     5   8    -0.01  -0.08   0.05     0.02  -0.12  -0.09     0.05  -0.08  -0.03
     6   1    -0.14   0.17   0.03    -0.36  -0.03  -0.06     0.42   0.20  -0.01
     7   1    -0.05  -0.15  -0.01     0.26   0.31  -0.34    -0.14   0.01   0.23
     8   1     0.16   0.22  -0.17    -0.07   0.04  -0.03    -0.03  -0.23   0.26
     9   1     0.07  -0.00   0.25    -0.11   0.07  -0.03    -0.06  -0.12   0.09
    10   1     0.05  -0.11  -0.05    -0.10   0.02   0.08    -0.15   0.09  -0.00
    11   6    -0.05  -0.05  -0.02    -0.03  -0.01  -0.01    -0.08  -0.05  -0.05
    12   1    -0.19  -0.14  -0.07     0.15   0.04   0.08     0.01   0.01  -0.02
    13   1    -0.05   0.01   0.07    -0.07  -0.16  -0.15    -0.08  -0.09  -0.11
    14   1    -0.06   0.02   0.07     0.04  -0.07  -0.04    -0.08  -0.11  -0.13
    15   6     0.04   0.23   0.07    -0.03   0.06   0.04     0.03   0.13  -0.02
    16   6     0.10  -0.00   0.06    -0.04   0.00   0.04     0.01   0.10  -0.05
    17   1     0.00   0.09  -0.26    -0.06  -0.06  -0.23     0.03   0.30   0.34
    18   1     0.13   0.52   0.02     0.01   0.35  -0.01     0.01  -0.26   0.04
    19   1     0.34  -0.04   0.08     0.14  -0.20   0.09     0.04   0.01  -0.03
    20   1    -0.06  -0.13  -0.14    -0.04   0.05  -0.27    -0.02   0.09  -0.14
                     13                     14                     15
                      A                      A                      A
 Frequencies --    801.0996               828.3444               883.2315
 Red. masses --      2.4096                 1.7213                 1.7372
 Frc consts  --      0.9111                 0.6959                 0.7984
 IR Inten    --      2.5253                 1.0839                 4.6868
 RamAct Fr= 1--      1.7958                 2.6182                 0.6346
  Dep-P Fr= 1--      0.4644                 0.2554                 0.6324
  Dep-U Fr= 1--      0.6343                 0.4068                 0.7748
 Alpha2 Fr= 1--      0.0104                 0.0306                 0.0014
 Beta2  Fr= 1--      0.1898                 0.1775                 0.0820
 AlphaG Fr= 1--      0.0136                -0.0387                -0.0199
 Gamma2 Fr= 1--      0.9749                 0.7529                -0.3259
 Delta2 Fr= 1--      0.1807                -0.6804                -0.1240
 Raman1 Fr= 1--       7.183                 10.473                  2.539
 ROA1   Fr= 1--      99.368                 50.507                -35.252
 CID1   Fr= 1--      13.833                  4.823                -13.887
 Raman2 Fr= 1--       2.278                  2.130                  0.983
 ROA2   Fr= 1--      21.951                 23.514                 -6.829
 CID2   Fr= 1--       9.636                 11.038                 -6.944
 Raman3 Fr= 1--       4.556                  4.261                  1.967
 ROA3   Fr= 1--      99.368                 50.507                -35.252
 CID3   Fr= 1--      21.810                 11.854                -17.923
 RC180  Fr= 1--       0.269                 -0.186                  0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.13   0.02    -0.07  -0.03  -0.10    -0.05   0.07   0.04
     2   6     0.03   0.07   0.01     0.06   0.00   0.02    -0.00   0.02  -0.09
     3   6     0.21   0.03  -0.01    -0.01   0.07   0.05     0.04  -0.00   0.10
     4   6    -0.05   0.02   0.07     0.03   0.05  -0.09    -0.02   0.06   0.00
     5   8    -0.04   0.03   0.03     0.01  -0.01  -0.02     0.01  -0.03   0.01
     6   1    -0.02  -0.12   0.05     0.32   0.07   0.02    -0.20   0.34   0.02
     7   1    -0.12  -0.21   0.07    -0.30  -0.01   0.27     0.01   0.05  -0.06
     8   1     0.20  -0.23   0.09    -0.24  -0.16   0.20     0.10  -0.20   0.15
     9   1     0.35  -0.05  -0.33    -0.10   0.06  -0.25     0.06  -0.03  -0.11
    10   1     0.02  -0.06   0.14    -0.08  -0.03  -0.12    -0.02   0.27  -0.07
    11   6    -0.09  -0.07  -0.06     0.02   0.02  -0.02    -0.05  -0.01  -0.03
    12   1     0.02   0.02  -0.03    -0.16  -0.15  -0.06     0.06   0.02   0.03
    13   1    -0.05  -0.06  -0.13    -0.07  -0.04   0.07    -0.08  -0.12  -0.12
    14   1    -0.14  -0.13  -0.20     0.11   0.14   0.23     0.02  -0.06  -0.05
    15   6     0.03  -0.01   0.03    -0.05  -0.05   0.03    -0.03  -0.11   0.01
    16   6    -0.05   0.12  -0.04     0.01  -0.03   0.12     0.11  -0.04  -0.02
    17   1     0.30  -0.12  -0.05    -0.18  -0.11  -0.17    -0.10  -0.24  -0.29
    18   1     0.07   0.08   0.01     0.26   0.07   0.01    -0.16   0.25  -0.05
    19   1     0.17  -0.14   0.03     0.29  -0.12   0.15    -0.10   0.25  -0.09
    20   1    -0.04   0.17  -0.37    -0.05  -0.05  -0.16     0.33   0.11   0.34
                     16                     17                     18
                      A                      A                      A
 Frequencies --    912.1429               960.1166               976.4474
 Red. masses --      1.8120                 2.3242                 1.5111
 Frc consts  --      0.8883                 1.2623                 0.8489
 IR Inten    --      1.9760                 0.5660                 0.1330
 RamAct Fr= 1--      1.4119                 4.5064                 1.8725
  Dep-P Fr= 1--      0.2024                 0.5800                 0.6592
  Dep-U Fr= 1--      0.3367                 0.7342                 0.7946
 Alpha2 Fr= 1--      0.0191                 0.0144                 0.0030
 Beta2  Fr= 1--      0.0792                 0.5514                 0.2480
 AlphaG Fr= 1--      0.0192                 0.0134                 0.0105
 Gamma2 Fr= 1--     -0.7217                 0.4451                 0.0144
 Delta2 Fr= 1--     -0.2175                 0.0040                -1.0668
 Raman1 Fr= 1--       5.648                 18.026                  7.490
 ROA1   Fr= 1--     -76.239                 42.859                -32.752
 CID1   Fr= 1--     -13.499                  2.378                 -4.373
 Raman2 Fr= 1--       0.951                  6.617                  2.976
 ROA2   Fr= 1--     -15.580                 10.651                  8.881
 CID2   Fr= 1--     -16.386                  1.610                  2.985
 Raman3 Fr= 1--       1.902                 13.234                  5.952
 ROA3   Fr= 1--     -76.239                 42.859                -32.752
 CID3   Fr= 1--     -40.091                  3.239                 -5.503
 RC180  Fr= 1--      -0.327                  0.468                  0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.05  -0.02    -0.14   0.02   0.02    -0.02   0.08   0.04
     2   6     0.03  -0.01   0.09     0.05  -0.03   0.04    -0.01  -0.00  -0.03
     3   6     0.04  -0.10  -0.10    -0.08   0.19  -0.06    -0.02  -0.04   0.00
     4   6    -0.03   0.03   0.00     0.05  -0.05   0.09    -0.02  -0.03   0.03
     5   8    -0.03   0.01   0.00     0.02  -0.04  -0.04    -0.00  -0.01   0.01
     6   1     0.12  -0.09   0.03    -0.02  -0.02   0.05    -0.12   0.11   0.02
     7   1    -0.27   0.30   0.18    -0.20   0.15   0.09    -0.03   0.37  -0.02
     8   1     0.01   0.31  -0.24    -0.10  -0.13   0.07     0.14   0.01  -0.06
     9   1     0.17  -0.08   0.30    -0.27   0.21  -0.28    -0.04  -0.03   0.10
    10   1     0.17   0.05   0.13     0.04  -0.00   0.07    -0.26  -0.29  -0.03
    11   6    -0.05   0.03  -0.00    -0.02  -0.11   0.01     0.07  -0.02  -0.01
    12   1     0.23   0.05   0.17    -0.05   0.11  -0.11    -0.29  -0.17  -0.18
    13   1    -0.15  -0.26  -0.24     0.19   0.25   0.11     0.08   0.19   0.28
    14   1     0.15  -0.06   0.01    -0.32  -0.17  -0.32    -0.06   0.15   0.15
    15   6    -0.01  -0.03  -0.07     0.04   0.04  -0.06     0.01  -0.10  -0.06
    16   6     0.11   0.00   0.05     0.11  -0.03  -0.00     0.02   0.11   0.01
    17   1    -0.04   0.06   0.10     0.16   0.12   0.18     0.15  -0.13  -0.03
    18   1     0.08  -0.23  -0.03    -0.08  -0.20  -0.02     0.00  -0.08  -0.06
    19   1     0.08  -0.01   0.05    -0.11   0.03  -0.02     0.10  -0.20   0.08
    20   1     0.17   0.06   0.05     0.15  -0.03   0.22     0.17   0.29  -0.27
                     19                     20                     21
                      A                      A                      A
 Frequencies --    989.3570              1028.4673              1063.1149
 Red. masses --      1.7605                 1.7996                 1.7636
 Frc consts  --      1.0153                 1.1215                 1.1744
 IR Inten    --      7.4907                 2.2655                 2.3773
 RamAct Fr= 1--      1.6488                 1.0446                 5.5023
  Dep-P Fr= 1--      0.7493                 0.7359                 0.7331
  Dep-U Fr= 1--      0.8567                 0.8479                 0.8460
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0016
 Beta2  Fr= 1--      0.2354                 0.1476                 0.7758
 AlphaG Fr= 1--     -0.0028                 0.0048                -0.0161
 Gamma2 Fr= 1--     -0.5582                 0.2322                 1.4784
 Delta2 Fr= 1--     -0.8504                -0.1813                 0.0781
 Raman1 Fr= 1--       6.595                  4.178                 22.009
 ROA1   Fr= 1--     -80.800                 16.486                144.426
 CID1   Fr= 1--     -12.251                  3.946                  6.562
 Raman2 Fr= 1--       2.825                  1.771                  9.310
 ROA2   Fr= 1--      -6.594                  7.023                 34.858
 CID2   Fr= 1--      -2.334                  3.965                  3.744
 Raman3 Fr= 1--       5.650                  3.543                 18.619
 ROA3   Fr= 1--     -80.800                 16.486                144.426
 CID3   Fr= 1--     -14.301                  4.654                  7.757
 RC180  Fr= 1--       0.713                  0.696                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.06     0.10   0.01  -0.04    -0.04   0.08   0.03
     2   6     0.06   0.03   0.01    -0.07  -0.03   0.02    -0.01  -0.00  -0.03
     3   6    -0.06  -0.03  -0.01    -0.02  -0.02  -0.01    -0.02   0.00   0.02
     4   6    -0.06  -0.11  -0.03     0.13   0.05   0.01     0.10   0.03  -0.00
     5   8    -0.01  -0.01  -0.00    -0.01   0.04   0.01    -0.00  -0.00   0.01
     6   1     0.12   0.25  -0.00     0.09  -0.12  -0.04    -0.09   0.28   0.03
     7   1    -0.13   0.01   0.10     0.05   0.19  -0.00    -0.06   0.25   0.02
     8   1    -0.35   0.18  -0.01     0.24  -0.03  -0.08    -0.03  -0.01   0.03
     9   1     0.15  -0.08   0.09    -0.32   0.08   0.12    -0.24   0.06   0.05
    10   1     0.03   0.04  -0.03     0.31   0.18   0.09     0.24   0.05   0.08
    11   6     0.04   0.01   0.12    -0.06  -0.10  -0.00    -0.05   0.01  -0.04
    12   1     0.21   0.26   0.11     0.03   0.11  -0.05     0.06  -0.03   0.05
    13   1     0.23   0.21   0.05     0.10   0.09  -0.06    -0.13  -0.18  -0.17
    14   1    -0.14  -0.12  -0.23    -0.24  -0.21  -0.33     0.09  -0.03   0.01
    15   6     0.03  -0.05   0.08    -0.09  -0.07   0.02     0.14  -0.06   0.01
    16   6    -0.02   0.06  -0.08    -0.01   0.08   0.03    -0.13  -0.04  -0.01
    17   1     0.15  -0.22  -0.22    -0.32  -0.09  -0.16     0.49  -0.17  -0.01
    18   1     0.20   0.25   0.03     0.16   0.08   0.00     0.28  -0.03   0.01
    19   1     0.17   0.24  -0.10     0.29   0.09   0.04    -0.14  -0.17   0.02
    20   1    -0.04   0.04  -0.05    -0.05   0.06  -0.16    -0.32  -0.23  -0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1114.3758              1141.9120              1154.8234
 Red. masses --      1.5765                 1.9878                 1.6356
 Frc consts  --      1.1535                 1.5272                 1.2852
 IR Inten    --      5.7519                 0.7543                18.9675
 RamAct Fr= 1--      1.8972                 2.1991                 1.8264
  Dep-P Fr= 1--      0.6744                 0.3568                 0.7147
  Dep-U Fr= 1--      0.8056                 0.5260                 0.8336
 Alpha2 Fr= 1--      0.0025                 0.0189                 0.0011
 Beta2  Fr= 1--      0.2547                 0.1928                 0.2538
 AlphaG Fr= 1--     -0.0102                 0.0064                -0.0137
 Gamma2 Fr= 1--     -1.4947                 0.1384                -0.5751
 Delta2 Fr= 1--     -1.3173                 0.3550                -1.5401
 Raman1 Fr= 1--       7.589                  8.797                  7.306
 ROA1   Fr= 1--    -185.642                 24.642               -104.497
 CID1   Fr= 1--     -24.463                  2.801                -14.304
 Raman2 Fr= 1--       3.057                  2.313                  3.045
 ROA2   Fr= 1--     -25.334                  0.481                 -1.482
 CID2   Fr= 1--      -8.288                  0.208                 -0.487
 Raman3 Fr= 1--       6.113                  4.627                  6.090
 ROA3   Fr= 1--    -185.642                 24.642               -104.497
 CID3   Fr= 1--     -30.368                  5.326                -17.159
 RC180  Fr= 1--       0.611                  0.052                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.02    -0.01   0.01  -0.11     0.02  -0.09  -0.02
     2   6    -0.04  -0.04   0.03     0.06  -0.01   0.12     0.07   0.07  -0.05
     3   6     0.07  -0.01  -0.01    -0.01  -0.06  -0.08    -0.09  -0.01  -0.00
     4   6    -0.10   0.07  -0.06     0.01   0.10   0.09     0.02  -0.02   0.11
     5   8     0.00  -0.00  -0.00    -0.03   0.03  -0.00    -0.01   0.00   0.01
     6   1     0.03  -0.24   0.02     0.17   0.34  -0.03     0.09  -0.22  -0.01
     7   1    -0.08   0.24   0.04    -0.08  -0.36   0.11    -0.07   0.39   0.01
     8   1     0.45  -0.15  -0.07     0.18   0.07  -0.18     0.23  -0.02  -0.08
     9   1     0.05  -0.01  -0.06    -0.18   0.02   0.22     0.15  -0.06   0.10
    10   1    -0.23   0.27  -0.22    -0.04   0.01   0.10    -0.15   0.26  -0.11
    11   6     0.05  -0.03   0.03     0.03  -0.05  -0.07     0.00   0.01  -0.06
    12   1    -0.06   0.08  -0.08    -0.25  -0.17  -0.19    -0.11  -0.15  -0.05
    13   1     0.15   0.20   0.15     0.00   0.07   0.17    -0.11  -0.08   0.04
    14   1    -0.13   0.02  -0.05    -0.09   0.09   0.07     0.08   0.08   0.12
    15   6     0.08   0.01   0.02     0.03   0.01   0.10    -0.08   0.02   0.03
    16   6    -0.05  -0.09  -0.02    -0.02  -0.05  -0.07     0.06   0.02  -0.03
    17   1    -0.12   0.06   0.00     0.02  -0.09  -0.12     0.33  -0.12  -0.03
    18   1     0.43  -0.09   0.04    -0.16   0.26   0.05     0.02   0.06   0.03
    19   1     0.03   0.19  -0.07    -0.31  -0.08  -0.07     0.13   0.24  -0.06
    20   1    -0.08  -0.13   0.10     0.14   0.07   0.14    -0.31  -0.34   0.14
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1197.3847              1238.5635              1252.4262
 Red. masses --      1.8618                 1.4945                 1.4973
 Frc consts  --      1.5728                 1.3508                 1.3837
 IR Inten    --     16.1840                 6.2650                19.4963
 RamAct Fr= 1--      2.8401                 1.2692                 4.1161
  Dep-P Fr= 1--      0.7492                 0.3828                 0.4841
  Dep-U Fr= 1--      0.8566                 0.5536                 0.6524
 Alpha2 Fr= 1--      0.0000                 0.0100                 0.0218
 Beta2  Fr= 1--      0.4055                 0.1171                 0.4476
 AlphaG Fr= 1--      0.0042                 0.0532                 0.0416
 Gamma2 Fr= 1--      3.7148                 1.0846                 1.4813
 Delta2 Fr= 1--      0.8083                 0.7272                 0.0628
 Raman1 Fr= 1--      11.360                  5.077                 16.464
 ROA1   Fr= 1--     382.484                127.395                144.214
 CID1   Fr= 1--      33.668                 25.094                  8.759
 Raman2 Fr= 1--       4.866                  1.405                  5.371
 ROA2   Fr= 1--      82.688                 20.214                 35.048
 CID2   Fr= 1--      16.993                 14.384                  6.526
 Raman3 Fr= 1--       9.732                  2.811                 10.741
 ROA3   Fr= 1--     382.484                127.395                144.214
 CID3   Fr= 1--      39.303                 45.326                 13.426
 RC180  Fr= 1--       0.713                  0.107                  0.305
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.05    -0.05   0.05   0.07     0.04   0.01  -0.01
     2   6     0.08   0.08  -0.07     0.06   0.05  -0.06    -0.13  -0.10   0.05
     3   6    -0.03  -0.09   0.01    -0.03  -0.01   0.00     0.00   0.04  -0.02
     4   6     0.02   0.14  -0.04     0.03  -0.01   0.10     0.00   0.04   0.06
     5   8    -0.01  -0.02   0.01     0.00  -0.03  -0.00     0.04  -0.00  -0.02
     6   1    -0.11   0.05   0.03    -0.05  -0.35   0.04    -0.01   0.15  -0.02
     7   1     0.07  -0.19  -0.06     0.05  -0.26  -0.03    -0.02   0.26   0.02
     8   1    -0.32   0.22  -0.03    -0.27   0.10   0.03    -0.40   0.15   0.05
     9   1     0.21  -0.13   0.15    -0.00  -0.01   0.07     0.67  -0.16  -0.22
    10   1    -0.00   0.47  -0.18     0.13   0.08   0.13     0.19   0.14   0.14
    11   6     0.02  -0.09   0.02     0.01   0.00  -0.06     0.02  -0.03  -0.04
    12   1    -0.11   0.08  -0.15    -0.11  -0.16  -0.06    -0.13  -0.09  -0.11
    13   1     0.17   0.20   0.11    -0.08  -0.06   0.05    -0.00   0.03   0.09
    14   1    -0.24  -0.07  -0.17     0.04   0.07   0.08    -0.04   0.06   0.04
    15   6    -0.01   0.01  -0.06     0.02  -0.02   0.01     0.01  -0.01   0.02
    16   6    -0.02  -0.01   0.10    -0.04  -0.00  -0.07     0.01   0.01  -0.02
    17   1     0.12   0.05   0.10    -0.45   0.09  -0.05    -0.08  -0.01  -0.02
    18   1    -0.11  -0.14  -0.04     0.50  -0.12   0.03     0.03   0.05   0.01
    19   1    -0.07  -0.23   0.14     0.07   0.18  -0.10    -0.06  -0.03  -0.01
    20   1    -0.09  -0.06  -0.04     0.12   0.15  -0.03    -0.09  -0.08   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1276.6638              1307.5422              1343.8657
 Red. masses --      1.3477                 1.4455                 1.4351
 Frc consts  --      1.2942                 1.4561                 1.5270
 IR Inten    --      4.8543                 6.7854                 1.4483
 RamAct Fr= 1--      2.9069                 3.8265                 1.6246
  Dep-P Fr= 1--      0.4812                 0.6904                 0.6488
  Dep-U Fr= 1--      0.6497                 0.8169                 0.7870
 Alpha2 Fr= 1--      0.0156                 0.0040                 0.0030
 Beta2  Fr= 1--      0.3148                 0.5210                 0.2131
 AlphaG Fr= 1--     -0.0188                -0.0108                -0.0086
 Gamma2 Fr= 1--      0.7457                -0.8525                 0.4101
 Delta2 Fr= 1--      0.4249                -0.0723                 0.1120
 Raman1 Fr= 1--      11.628                 15.306                  6.498
 ROA1   Fr= 1--      85.185                -84.157                 42.957
 CID1   Fr= 1--       7.326                 -5.498                  6.610
 Raman2 Fr= 1--       3.777                  6.251                  2.557
 ROA2   Fr= 1--      14.497                -19.883                  8.947
 CID2   Fr= 1--       3.838                 -3.181                  3.499
 Raman3 Fr= 1--       7.555                 12.503                  5.114
 ROA3   Fr= 1--      85.185                -84.157                 42.957
 CID3   Fr= 1--      11.276                 -6.731                  8.399
 RC180  Fr= 1--       0.299                  0.634                  0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.02    -0.03   0.01  -0.02     0.01  -0.13   0.01
     2   6    -0.03   0.03  -0.08     0.03   0.01   0.01     0.01   0.01  -0.01
     3   6     0.06  -0.04   0.02    -0.13   0.03   0.02    -0.01   0.00   0.01
     4   6    -0.01   0.05  -0.02     0.10  -0.04  -0.04    -0.03  -0.07  -0.01
     5   8     0.00  -0.00   0.01     0.01  -0.02  -0.01    -0.01   0.02   0.01
     6   1     0.13  -0.46  -0.02     0.09  -0.21   0.00    -0.04   0.47   0.03
     7   1    -0.11   0.49   0.03    -0.05   0.05   0.02    -0.03   0.31  -0.04
     8   1    -0.33   0.12   0.07     0.37  -0.10  -0.07     0.09  -0.05  -0.00
     9   1    -0.23   0.04   0.01     0.46  -0.13  -0.03    -0.11   0.03   0.04
    10   1     0.07  -0.18   0.11    -0.05   0.13  -0.20     0.36   0.36   0.09
    11   6     0.01  -0.01   0.01    -0.03   0.01   0.01     0.02   0.01  -0.03
    12   1    -0.03   0.02  -0.03     0.08   0.03   0.07    -0.01  -0.07  -0.01
    13   1     0.03   0.02   0.01     0.01  -0.01  -0.10    -0.01   0.03   0.09
    14   1    -0.05  -0.01  -0.04     0.09  -0.07  -0.03     0.06   0.07   0.10
    15   6    -0.00   0.04   0.09     0.04   0.01   0.05     0.01   0.07  -0.02
    16   6     0.00  -0.05  -0.03    -0.05   0.01   0.00    -0.07  -0.06   0.02
    17   1     0.13  -0.04  -0.02    -0.13   0.02  -0.02    -0.03   0.13   0.08
    18   1    -0.07   0.17   0.07    -0.06   0.12   0.04     0.08  -0.08   0.01
    19   1    -0.26  -0.16  -0.02    -0.28  -0.36   0.06     0.12   0.13  -0.01
    20   1     0.25   0.17   0.06     0.27   0.31  -0.07     0.34   0.35  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1346.4949              1373.4657              1377.0396
 Red. masses --      1.3480                 1.4145                 1.3904
 Frc consts  --      1.4399                 1.5721                 1.5534
 IR Inten    --      6.6765                 4.4183                 1.5841
 RamAct Fr= 1--      1.4433                 0.7840                 2.9554
  Dep-P Fr= 1--      0.7435                 0.7110                 0.7353
  Dep-U Fr= 1--      0.8529                 0.8311                 0.8475
 Alpha2 Fr= 1--      0.0002                 0.0005                 0.0007
 Beta2  Fr= 1--      0.2052                 0.1086                 0.4174
 AlphaG Fr= 1--      0.0022                 0.0128                 0.0018
 Gamma2 Fr= 1--      1.1568                -0.9679                 2.2169
 Delta2 Fr= 1--      0.2979                -0.2357                 1.3412
 Raman1 Fr= 1--       5.773                  3.136                 11.821
 ROA1   Fr= 1--     120.589               -100.464                255.738
 CID1   Fr= 1--      20.888                -32.035                 21.633
 Raman2 Fr= 1--       2.462                  1.303                  5.009
 ROA2   Fr= 1--      25.380                -21.345                 42.476
 CID2   Fr= 1--      10.309                -16.380                  8.479
 Raman3 Fr= 1--       4.924                  2.606                 10.019
 ROA3   Fr= 1--     120.589               -100.464                255.738
 CID3   Fr= 1--      24.490                -38.546                 25.527
 RC180  Fr= 1--       0.706                  0.662                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.12  -0.03     0.04   0.01   0.00     0.00   0.01   0.01
     2   6    -0.03  -0.02   0.02    -0.04  -0.03   0.03     0.03   0.02  -0.01
     3   6     0.02   0.02  -0.01     0.03   0.00  -0.03    -0.09   0.01   0.05
     4   6    -0.05  -0.06  -0.00     0.05  -0.01   0.02    -0.05   0.07  -0.08
     5   8     0.01  -0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.00
     6   1     0.10  -0.42  -0.04    -0.07   0.13  -0.02    -0.01  -0.00   0.01
     7   1     0.03  -0.26   0.02     0.07  -0.15   0.01     0.05  -0.12  -0.03
     8   1     0.00  -0.03   0.01    -0.11   0.07  -0.01     0.28  -0.12   0.00
     9   1    -0.03   0.03  -0.03    -0.01   0.01  -0.05     0.23  -0.08   0.03
    10   1     0.30   0.41   0.05    -0.30   0.07  -0.24     0.46  -0.44   0.45
    11   6     0.02   0.00  -0.03    -0.02   0.01   0.01     0.02  -0.03  -0.00
    12   1    -0.01  -0.05  -0.02     0.03  -0.00   0.05    -0.01   0.09  -0.07
    13   1    -0.00   0.04   0.10    -0.01  -0.02  -0.05     0.07   0.08   0.04
    14   1     0.04   0.08   0.10     0.03  -0.06  -0.04    -0.05   0.05   0.06
    15   6    -0.03  -0.02  -0.01    -0.15   0.04  -0.00    -0.07   0.02  -0.01
    16   6    -0.04  -0.02   0.05     0.01  -0.03  -0.02     0.04  -0.03  -0.01
    17   1     0.47  -0.13   0.04     0.43  -0.10   0.04     0.22  -0.06  -0.00
    18   1    -0.27   0.12  -0.03     0.62  -0.11   0.04     0.28  -0.10   0.02
    19   1     0.20   0.09   0.04    -0.14  -0.12  -0.01    -0.07   0.03  -0.03
    20   1     0.12   0.14  -0.04     0.26   0.19   0.05     0.03  -0.04   0.04
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1387.6987              1417.5781              1449.7409
 Red. masses --      1.4461                 1.2303                 1.0810
 Frc consts  --      1.6407                 1.4567                 1.3386
 IR Inten    --      2.1634                 5.2225                 7.9061
 RamAct Fr= 1--      2.1181                 0.0685                 5.7956
  Dep-P Fr= 1--      0.6977                 0.7497                 0.7054
  Dep-U Fr= 1--      0.8219                 0.8569                 0.8273
 Alpha2 Fr= 1--      0.0019                 0.0000                 0.0045
 Beta2  Fr= 1--      0.2902                 0.0098                 0.7991
 AlphaG Fr= 1--     -0.0036                -0.0001                -0.0207
 Gamma2 Fr= 1--      0.7588                -0.0807                 0.6612
 Delta2 Fr= 1--     -0.4634                -0.0521                -0.3840
 Raman1 Fr= 1--       8.472                  0.274                 23.182
 ROA1   Fr= 1--      58.012                 -9.411                 51.186
 CID1   Fr= 1--       6.847                -34.330                  2.208
 Raman2 Fr= 1--       3.482                  0.117                  9.589
 ROA2   Fr= 1--      21.917                 -1.519                 18.940
 CID2   Fr= 1--       6.295                -12.936                  1.975
 Raman3 Fr= 1--       6.964                  0.235                 19.178
 ROA3   Fr= 1--      58.012                 -9.411                 51.186
 CID3   Fr= 1--       8.330                -40.062                  2.669
 RC180  Fr= 1--       0.644                  0.714                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.07   0.00   0.03
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.01
     3   6    -0.03  -0.01   0.00     0.01  -0.00  -0.01     0.01  -0.00   0.00
     4   6     0.09   0.09   0.04     0.01   0.00   0.01    -0.00  -0.01  -0.00
     5   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   1     0.07   0.01   0.01    -0.02  -0.01  -0.00     0.67   0.09   0.21
     7   1     0.02   0.04  -0.05    -0.01   0.01   0.01     0.33   0.05  -0.60
     8   1    -0.05   0.10  -0.04    -0.06  -0.02   0.02    -0.01   0.03  -0.01
     9   1     0.20  -0.08  -0.04    -0.03   0.01   0.06    -0.02   0.00  -0.04
    10   1    -0.29  -0.38  -0.04    -0.05   0.01  -0.03    -0.00   0.03  -0.01
    11   6    -0.04  -0.02   0.01    -0.09  -0.07  -0.08    -0.00  -0.00  -0.00
    12   1     0.05   0.09   0.01     0.50   0.23   0.18     0.01   0.00   0.01
    13   1     0.05   0.04  -0.08     0.16   0.47   0.27    -0.00   0.01   0.01
    14   1     0.02  -0.04   0.02     0.27   0.12   0.46     0.00   0.00   0.01
    15   6     0.02   0.02  -0.02     0.00  -0.01   0.01    -0.01  -0.00   0.01
    16   6    -0.09  -0.10   0.01     0.01   0.02  -0.01     0.01   0.01  -0.01
    17   1     0.16   0.00   0.02    -0.06  -0.00  -0.02     0.01  -0.04  -0.05
    18   1    -0.22  -0.03  -0.02     0.02  -0.00   0.00     0.01  -0.06   0.01
    19   1     0.51   0.47  -0.07    -0.07  -0.03  -0.01     0.02  -0.09   0.02
    20   1     0.21   0.18  -0.00    -0.05  -0.04  -0.01    -0.01  -0.02   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1473.8154              1496.5326              1499.3447
 Red. masses --      1.0956                 1.0650                 1.0590
 Frc consts  --      1.4022                 1.4053                 1.4026
 IR Inten    --     10.7242                 1.9161                 3.7228
 RamAct Fr= 1--      4.7606                 2.2615                 5.0819
  Dep-P Fr= 1--      0.7499                 0.7434                 0.7466
  Dep-U Fr= 1--      0.8571                 0.8528                 0.8549
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0003
 Beta2  Fr= 1--      0.6801                 0.3214                 0.7241
 AlphaG Fr= 1--     -0.0014                -0.0040                 0.0001
 Gamma2 Fr= 1--     -0.6218                -2.5514                 1.8677
 Delta2 Fr= 1--      0.0577                -1.9745                 1.0207
 Raman1 Fr= 1--      19.043                  9.046                 20.328
 ROA1   Fr= 1--     -57.846               -308.114                211.960
 CID1   Fr= 1--      -3.038                -34.062                 10.427
 Raman2 Fr= 1--       8.161                  3.857                  8.689
 ROA2   Fr= 1--     -15.385                -45.437                 36.659
 CID2   Fr= 1--      -1.885                -11.780                  4.219
 Raman3 Fr= 1--      16.321                  7.714                 17.379
 ROA3   Fr= 1--     -57.846               -308.114                211.960
 CID3   Fr= 1--      -3.544                -39.941                 12.196
 RC180  Fr= 1--       0.714                  0.706                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
     2   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.00
     3   6     0.01   0.04  -0.07    -0.01   0.00   0.00     0.00   0.01  -0.01
     4   6     0.00   0.01  -0.00     0.02   0.01  -0.01     0.02  -0.03   0.02
     5   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   1     0.02  -0.01   0.01     0.04  -0.01   0.01     0.04  -0.01   0.01
     7   1     0.01   0.03  -0.02     0.02   0.00  -0.03     0.01   0.00  -0.03
     8   1    -0.20  -0.58   0.26     0.00  -0.00  -0.00    -0.02  -0.03   0.01
     9   1     0.17   0.07   0.65     0.04  -0.01   0.00     0.00   0.01   0.03
    10   1    -0.03  -0.01  -0.02    -0.03  -0.04  -0.03    -0.04   0.05  -0.05
    11   6    -0.00   0.01   0.01     0.01   0.02  -0.03     0.02  -0.04   0.02
    12   1    -0.08  -0.06  -0.01     0.27  -0.21   0.26    -0.05   0.53  -0.29
    13   1     0.05   0.03  -0.06    -0.28  -0.09   0.43    -0.01  -0.24  -0.28
    14   1     0.08  -0.07  -0.05    -0.25   0.01  -0.23    -0.23   0.31   0.32
    15   6     0.00   0.02   0.01     0.00   0.01   0.01     0.00   0.00   0.01
    16   6    -0.01  -0.01   0.00     0.02  -0.03   0.04     0.02  -0.01   0.02
    17   1     0.02  -0.07  -0.15     0.02  -0.07  -0.13    -0.00  -0.02  -0.04
    18   1    -0.05  -0.15   0.03    -0.05  -0.13   0.03    -0.01  -0.03   0.01
    19   1     0.01   0.01   0.00    -0.31   0.30  -0.06    -0.26   0.21  -0.05
    20   1     0.02   0.01  -0.00    -0.03   0.01  -0.43    -0.01   0.02  -0.34
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1503.6092              1507.2284              1786.0361
 Red. masses --      1.0565                 1.0880                11.4787
 Frc consts  --      1.4074                 1.4562                21.5737
 IR Inten    --     10.4819                 4.6270               214.6699
 RamAct Fr= 1--      4.1918                 3.6529                20.0349
  Dep-P Fr= 1--      0.7437                 0.5700                 0.3910
  Dep-U Fr= 1--      0.8530                 0.7261                 0.5622
 Alpha2 Fr= 1--      0.0004                 0.0124                 0.1532
 Beta2  Fr= 1--      0.5960                 0.4421                 1.8772
 AlphaG Fr= 1--      0.0040                 0.0037                 0.0683
 Gamma2 Fr= 1--      1.1492                -0.8903                 2.6941
 Delta2 Fr= 1--      0.3729                -0.2015                -0.9285
 Raman1 Fr= 1--      16.767                 14.612                 80.140
 ROA1   Fr= 1--     122.256                -91.915                228.917
 CID1   Fr= 1--       7.291                 -6.291                  2.856
 Raman2 Fr= 1--       7.152                  5.305                 22.526
 ROA2   Fr= 1--      24.598                -19.754                 72.086
 CID2   Fr= 1--       3.440                 -3.724                  3.200
 Raman3 Fr= 1--      14.303                 10.610                 45.052
 ROA3   Fr= 1--     122.256                -91.915                228.917
 CID3   Fr= 1--       8.548                 -8.663                  5.081
 RC180  Fr= 1--       0.706                  0.452                  0.124
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.02  -0.05  -0.02
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.35   0.62   0.31
     3   6     0.00  -0.01   0.01     0.00   0.01  -0.02     0.02  -0.04  -0.03
     4   6    -0.01   0.00   0.01     0.00   0.01  -0.00     0.01  -0.01  -0.00
     5   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.23  -0.40  -0.20
     6   1     0.04  -0.00   0.01     0.07   0.01   0.02     0.01   0.19   0.01
     7   1     0.02  -0.01  -0.03     0.03   0.01  -0.07     0.00   0.04  -0.00
     8   1     0.01   0.10  -0.04    -0.04  -0.14   0.06     0.15  -0.03  -0.04
     9   1    -0.03  -0.01  -0.10     0.04   0.01   0.15    -0.21   0.08   0.14
    10   1     0.03   0.03   0.04    -0.02  -0.04  -0.00    -0.01   0.01  -0.03
    11   6    -0.03   0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.27  -0.21  -0.05     0.02  -0.03   0.03    -0.01   0.02  -0.01
    13   1     0.31   0.27  -0.26    -0.02   0.00   0.04    -0.00  -0.02  -0.03
    14   1     0.46  -0.27  -0.04    -0.02  -0.02  -0.04     0.00   0.00   0.00
    15   6     0.00   0.00   0.01    -0.01  -0.07  -0.04    -0.00  -0.01  -0.00
    16   6     0.03  -0.02   0.03     0.01  -0.02   0.01    -0.00   0.00   0.00
    17   1     0.00  -0.03  -0.05     0.02   0.25   0.61    -0.01  -0.01   0.02
    18   1    -0.02  -0.04   0.01     0.16   0.64  -0.12     0.00   0.02  -0.01
    19   1    -0.29   0.28  -0.06    -0.09   0.12  -0.03     0.00   0.01   0.00
    20   1    -0.06  -0.02  -0.39    -0.01  -0.02  -0.13    -0.00  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3005.3964              3015.4558              3025.4316
 Red. masses --      1.0720                 1.0713                 1.0367
 Frc consts  --      5.7047                 5.7392                 5.5907
 IR Inten    --     11.0776                 8.2867                19.7793
 RamAct Fr= 1--    104.5952                33.1761               217.5375
  Dep-P Fr= 1--      0.1442                 0.4910                 0.0036
  Dep-U Fr= 1--      0.2521                 0.6586                 0.0071
 Alpha2 Fr= 1--      1.6407                 0.1708                 4.7940
 Beta2  Fr= 1--      4.3949                 3.6417                 0.2585
 AlphaG Fr= 1--      0.9294                -0.6474                -0.7005
 Gamma2 Fr= 1--     20.0414                 7.6587                -0.6944
 Delta2 Fr= 1--     10.2682                 5.3036                -1.3371
 Raman1 Fr= 1--     418.381                132.704                870.150
 ROA1   Fr= 1--    2252.559                904.952               -109.446
 CID1   Fr= 1--       5.384                  6.819                 -0.126
 Raman2 Fr= 1--      52.739                 43.700                  3.102
 ROA2   Fr= 1--     398.848                141.380                 -5.968
 CID2   Fr= 1--       7.563                  3.235                 -1.924
 Raman3 Fr= 1--     105.478                 87.401                  6.205
 ROA3   Fr= 1--    2252.559                904.952               -109.446
 CID3   Fr= 1--      21.356                 10.354                -17.639
 RC180  Fr= 1--      -0.496                  0.317                 -0.986
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.01  -0.00  -0.05     0.00   0.00   0.01
     4   6    -0.01   0.01   0.02    -0.02   0.01   0.04     0.00   0.00  -0.00
     5   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   1    -0.00   0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.02
     7   1     0.02   0.00   0.01    -0.02  -0.00  -0.01     0.03   0.00   0.02
     8   1     0.05   0.08   0.18     0.17   0.25   0.59    -0.05  -0.06  -0.16
     9   1    -0.02  -0.06   0.00    -0.05  -0.18   0.01     0.01   0.03  -0.00
    10   1     0.17  -0.09  -0.26     0.30  -0.16  -0.45    -0.01   0.00   0.01
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.02  -0.02  -0.03
    12   1     0.01  -0.01  -0.02    -0.10   0.07   0.14    -0.32   0.22   0.47
    13   1    -0.05   0.04  -0.02     0.06  -0.04   0.02     0.42  -0.32   0.19
    14   1    -0.01  -0.03   0.02     0.02   0.04  -0.03     0.20   0.39  -0.27
    15   6    -0.00   0.00   0.02     0.00   0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.01  -0.00  -0.07     0.01  -0.01   0.02    -0.00  -0.00  -0.01
    17   1    -0.00   0.00   0.00    -0.01  -0.03   0.02    -0.00   0.00  -0.00
    18   1     0.01  -0.04  -0.27    -0.00  -0.00  -0.01     0.00  -0.00  -0.03
    19   1    -0.06   0.18   0.84     0.03  -0.07  -0.32    -0.01   0.02   0.11
    20   1     0.12  -0.13  -0.04    -0.15   0.15   0.03     0.01  -0.02  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3026.5859              3030.4155              3036.3373
 Red. masses --      1.0693                 1.0712                 1.0634
 Frc consts  --      5.7713                 5.7957                 5.7762
 IR Inten    --      9.0982                40.8434                21.9400
 RamAct Fr= 1--     17.1933                80.5287               231.0324
  Dep-P Fr= 1--      0.7217                 0.4380                 0.0631
  Dep-U Fr= 1--      0.8383                 0.6091                 0.1187
 Alpha2 Fr= 1--      0.0084                 0.5178                 4.4230
 Beta2  Fr= 1--      2.4023                 8.1755                 4.5708
 AlphaG Fr= 1--      0.0489                 0.0949                 1.0451
 Gamma2 Fr= 1--    -11.6851                -8.9350                15.2943
 Delta2 Fr= 1--     -7.1586                 1.1805                -5.9465
 Raman1 Fr= 1--      68.773                322.115                924.129
 ROA1   Fr= 1--   -1350.845               -819.981               1277.962
 CID1   Fr= 1--     -19.642                 -2.546                  1.383
 Raman2 Fr= 1--      28.827                 98.105                 54.850
 ROA2   Fr= 1--    -223.174               -223.883                414.634
 CID2   Fr= 1--      -7.742                 -2.282                  7.559
 Raman3 Fr= 1--      57.655                196.211                109.699
 ROA3   Fr= 1--   -1350.845               -819.981               1277.962
 CID3   Fr= 1--     -23.430                 -4.179                 11.650
 RC180  Fr= 1--       0.677                  0.218                 -0.763
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.01     0.03   0.00   0.00    -0.06  -0.01   0.01
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.02    -0.01  -0.00  -0.04    -0.00  -0.00  -0.01
     4   6    -0.02   0.01   0.03     0.02  -0.01  -0.04     0.00  -0.00  -0.01
     5   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   1    -0.00   0.00   0.02    -0.03  -0.01   0.14     0.12   0.03  -0.50
     7   1    -0.23  -0.04  -0.14    -0.28  -0.04  -0.18     0.61   0.09   0.39
     8   1    -0.06  -0.09  -0.21     0.14   0.21   0.50     0.05   0.07   0.17
     9   1     0.02   0.06  -0.00    -0.05  -0.18   0.01    -0.02  -0.06   0.00
    10   1     0.21  -0.12  -0.32    -0.29   0.16   0.44    -0.05   0.03   0.08
    11   6     0.01  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.02   0.02   0.03     0.01  -0.01  -0.02     0.01  -0.01  -0.01
    13   1    -0.04   0.03  -0.02     0.07  -0.06   0.04     0.00  -0.00   0.00
    14   1    -0.02  -0.04   0.02     0.04   0.09  -0.06     0.01   0.01  -0.01
    15   6    -0.01  -0.03  -0.05    -0.00  -0.02  -0.01    -0.00  -0.01  -0.03
    16   6    -0.00   0.00  -0.01    -0.01   0.01  -0.01    -0.01   0.01  -0.00
    17   1     0.08   0.28  -0.16     0.05   0.17  -0.09     0.01   0.05  -0.03
    18   1    -0.02   0.10   0.74    -0.01   0.03   0.25    -0.01   0.05   0.34
    19   1    -0.01   0.03   0.12    -0.01   0.03   0.11    -0.01   0.01   0.05
    20   1     0.05  -0.06  -0.01     0.18  -0.19  -0.03     0.09  -0.10  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3065.3812              3070.1413              3081.2224
 Red. masses --      1.0992                 1.0927                 1.0999
 Frc consts  --      6.0856                 6.0682                 6.1525
 IR Inten    --     14.3802                42.2272                27.3365
 RamAct Fr= 1--     74.5074               156.0773                75.8898
  Dep-P Fr= 1--      0.6898                 0.1500                 0.4871
  Dep-U Fr= 1--      0.8164                 0.2609                 0.6551
 Alpha2 Fr= 1--      0.0786                 2.4127                 0.3976
 Beta2  Fr= 1--     10.1385                 6.7864                 8.2854
 AlphaG Fr= 1--      0.0363                 0.2169                -0.4898
 Gamma2 Fr= 1--     61.0254               -40.7068               -32.5833
 Delta2 Fr= 1--     32.2353               -23.2502               -24.8064
 Raman1 Fr= 1--     298.030                624.309                303.559
 ROA1   Fr= 1--    6889.968              -4651.853              -3921.802
 CID1   Fr= 1--      23.118                 -7.451                -12.919
 Raman2 Fr= 1--     121.662                 81.436                 99.425
 ROA2   Fr= 1--    1206.726               -790.961               -583.549
 CID2   Fr= 1--       9.919                 -9.713                 -5.869
 Raman3 Fr= 1--     243.323                162.873                198.850
 ROA3   Fr= 1--    6889.968              -4651.853              -3921.802
 CID3   Fr= 1--      28.316                -28.561                -19.722
 RC180  Fr= 1--       0.633                 -0.478                  0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.05    -0.01  -0.00  -0.01    -0.01   0.00  -0.07
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.01     0.01  -0.00  -0.01    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     6   1    -0.11  -0.03   0.40    -0.03  -0.01   0.12    -0.19  -0.05   0.70
     7   1     0.29   0.04   0.17     0.11   0.02   0.07     0.32   0.05   0.18
     8   1    -0.01  -0.01  -0.03     0.01   0.01   0.04     0.00   0.01   0.02
     9   1     0.01   0.02  -0.00    -0.00  -0.00  -0.00    -0.01  -0.05   0.01
    10   1     0.05  -0.02  -0.07    -0.09   0.05   0.13    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    12   1    -0.03   0.02   0.04     0.08  -0.06  -0.12     0.02  -0.01  -0.02
    13   1    -0.02   0.01  -0.01     0.06  -0.05   0.03    -0.01   0.00  -0.00
    14   1    -0.02  -0.03   0.02     0.03   0.07  -0.04     0.02   0.04  -0.03
    15   6    -0.01  -0.05   0.05    -0.01  -0.03   0.01     0.01   0.03  -0.04
    16   6    -0.02   0.02   0.02     0.05  -0.05  -0.03     0.00  -0.00  -0.01
    17   1     0.17   0.61  -0.30     0.09   0.33  -0.16    -0.11  -0.41   0.20
    18   1    -0.00  -0.05  -0.25    -0.00   0.00   0.05    -0.01   0.05   0.31
    19   1     0.01  -0.03  -0.18    -0.01   0.04   0.22    -0.00   0.02   0.08
    20   1     0.22  -0.24  -0.03    -0.57   0.60   0.09     0.00  -0.01  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3087.2011              3092.6121              3105.7697
 Red. masses --      1.1013                 1.1018                 1.0951
 Frc consts  --      6.1842                 6.2090                 6.2239
 IR Inten    --     40.7741                32.2758                19.3196
 RamAct Fr= 1--     74.2284                47.8070                96.2098
  Dep-P Fr= 1--      0.4263                 0.6243                 0.4171
  Dep-U Fr= 1--      0.5977                 0.7687                 0.5887
 Alpha2 Fr= 1--      0.4992                 0.1096                 0.6697
 Beta2  Fr= 1--      7.3949                 6.1250                 9.4391
 AlphaG Fr= 1--      0.3495                -0.2405                 0.2302
 Gamma2 Fr= 1--     21.6283               -12.9202                 3.8996
 Delta2 Fr= 1--     14.4002                -6.9276                 6.9631
 Raman1 Fr= 1--     296.914                191.228                384.839
 ROA1   Fr= 1--    2537.120              -1462.025                597.180
 CID1   Fr= 1--       8.545                 -7.645                  1.552
 Raman2 Fr= 1--      88.739                 73.500                113.269
 ROA2   Fr= 1--     403.877               -254.665                 37.885
 CID2   Fr= 1--       4.551                 -3.465                  0.334
 Raman3 Fr= 1--     177.477                147.000                226.538
 ROA3   Fr= 1--    2537.120              -1462.025                597.180
 CID3   Fr= 1--      14.295                 -9.946                  2.636
 RC180  Fr= 1--       0.195                  0.537                  0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.00   0.01   0.00    -0.03  -0.08  -0.01
     4   6    -0.01   0.01   0.01    -0.01   0.00   0.01     0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   1     0.00   0.00  -0.01     0.01   0.00  -0.04    -0.01  -0.00   0.02
     7   1    -0.01  -0.00  -0.01    -0.02  -0.00  -0.01     0.00   0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05     0.07   0.09   0.24
     9   1     0.02   0.08  -0.01    -0.03  -0.11   0.01     0.25   0.91  -0.11
    10   1     0.09  -0.05  -0.13     0.06  -0.03  -0.10    -0.01   0.00   0.01
    11   6    -0.07   0.05   0.02    -0.02  -0.06   0.07     0.00  -0.01   0.01
    12   1     0.32  -0.23  -0.50     0.20  -0.15  -0.28    -0.00   0.00   0.01
    13   1     0.54  -0.40   0.27    -0.27   0.18  -0.11    -0.07   0.05  -0.03
    14   1    -0.02  -0.00   0.02     0.33   0.64  -0.42     0.05   0.09  -0.06
    15   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.01   0.00    -0.00   0.01   0.01    -0.00   0.00  -0.00
    17   1    -0.01  -0.02   0.01     0.00   0.02  -0.01    -0.01  -0.02   0.01
    18   1    -0.00  -0.00  -0.01    -0.00  -0.01  -0.04    -0.00   0.00   0.02
    19   1     0.00  -0.01  -0.05     0.00  -0.01  -0.06    -0.00   0.00   0.01
    20   1     0.09  -0.10  -0.01     0.05  -0.05  -0.01     0.01  -0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   112.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   678.37843 902.345921330.83938
           X            0.98846   0.15085   0.01372
           Y           -0.15068   0.98850  -0.01295
           Z           -0.01552   0.01074   0.99982
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.12768     0.09599     0.06508
 Rotational constants (GHZ):           2.66038     2.00005     1.35609
 Zero-point vibrational energy     468544.6 (Joules/Mol)
                                  111.98485 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     85.29   105.50   364.93   398.71   486.32
          (Kelvin)            546.45   589.51   669.60   697.22   750.40
                              890.15  1040.23  1152.60  1191.80  1270.77
                             1312.37  1381.39  1404.89  1423.46  1479.74
                             1529.59  1603.34  1642.96  1661.53  1722.77
                             1782.02  1801.96  1836.83  1881.26  1933.52
                             1937.31  1976.11  1981.25  1996.59  2039.58
                             2085.85  2120.49  2153.18  2157.22  2163.36
                             2168.57  2569.71  4324.10  4338.57  4352.92
                             4354.58  4360.09  4368.61  4410.40  4417.25
                             4433.19  4441.79  4449.58  4468.51
 
 Zero-point correction=                           0.178459 (Hartree/Particle)
 Thermal correction to Energy=                    0.186435
 Thermal correction to Enthalpy=                  0.187379
 Thermal correction to Gibbs Free Energy=         0.145731
 Sum of electronic and zero-point Energies=           -349.188706
 Sum of electronic and thermal Energies=              -349.180730
 Sum of electronic and thermal Enthalpies=            -349.179786
 Sum of electronic and thermal Free Energies=         -349.221434
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  116.990             30.473             87.657
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.058
 Rotational               0.889              2.981             28.190
 Vibrational            115.212             24.511             19.409
 Vibration     1          0.597              1.974              4.481
 Vibration     2          0.599              1.967              4.062
 Vibration     3          0.665              1.757              1.705
 Vibration     4          0.678              1.716              1.551
 Vibration     5          0.718              1.600              1.222
 Vibration     6          0.750              1.513              1.040
 Vibration     7          0.774              1.449              0.928
 Vibration     8          0.823              1.327              0.751
 Vibration     9          0.841              1.284              0.698
 Vibration    10          0.877              1.202              0.606
 Vibration    11          0.979              0.992              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.930314D-67        -67.031370       -154.345434
 Total V=0       0.113266D+16         15.054100         34.663346
 Vib (Bot)       0.617307D-80        -80.209499       -184.689196
 Vib (Bot)    1  0.348374D+01          0.542045          1.248105
 Vib (Bot)    2  0.281132D+01          0.448911          1.033655
 Vib (Bot)    3  0.768156D+00         -0.114550         -0.263762
 Vib (Bot)    4  0.694836D+00         -0.158118         -0.364080
 Vib (Bot)    5  0.550044D+00         -0.259602         -0.597756
 Vib (Bot)    6  0.476122D+00         -0.322282         -0.742081
 Vib (Bot)    7  0.431885D+00         -0.364632         -0.839595
 Vib (Bot)    8  0.363831D+00         -0.439100         -1.011066
 Vib (Bot)    9  0.343763D+00         -0.463740         -1.067801
 Vib (Bot)   10  0.309044D+00         -0.509979         -1.174271
 Vib (Bot)   11  0.236700D+00         -0.625802         -1.440962
 Vib (V=0)       0.751574D+02          1.875971          4.319584
 Vib (V=0)    1  0.401943D+01          0.604165          1.391141
 Vib (V=0)    2  0.335544D+01          0.525749          1.210583
 Vib (V=0)    3  0.141655D+01          0.151232          0.348225
 Vib (V=0)    4  0.135604D+01          0.132271          0.304565
 Vib (V=0)    5  0.124334D+01          0.094589          0.217798
 Vib (V=0)    6  0.119043D+01          0.075704          0.174314
 Vib (V=0)    7  0.116070D+01          0.064720          0.149024
 Vib (V=0)    8  0.111836D+01          0.048583          0.111866
 Vib (V=0)    9  0.110677D+01          0.044059          0.101448
 Vib (V=0)   10  0.108780D+01          0.036549          0.084157
 Vib (V=0)   11  0.105320D+01          0.022510          0.051830
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.466442D+08          7.668797         17.658058
 Rotational      0.323096D+06          5.509331         12.685703
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016844    0.000005898    0.000004866
      2        6          -0.000000036    0.000001398   -0.000010882
      3        6           0.000000250   -0.000002561    0.000005529
      4        6          -0.000036233   -0.000059044   -0.000016926
      5        8           0.000000691    0.000000047    0.000001307
      6        1          -0.000000040    0.000000651   -0.000001084
      7        1           0.000000037    0.000001167    0.000000078
      8        1           0.000000274   -0.000002509    0.000008812
      9        1          -0.000000328   -0.000000156    0.000002489
     10        1          -0.000002437    0.000000566    0.000001887
     11        6           0.000000313    0.000003831   -0.000002790
     12        1           0.000004578    0.000000952    0.000003705
     13        1           0.000006399    0.000003417    0.000001856
     14        1           0.000002597    0.000000364    0.000002843
     15        6          -0.000001607   -0.000020678    0.000012305
     16        6           0.000047498    0.000072353    0.000001197
     17        1          -0.000000488    0.000000738   -0.000000758
     18        1          -0.000006807   -0.000010457   -0.000006430
     19        1           0.000002656    0.000003783   -0.000006851
     20        1          -0.000000474    0.000000241   -0.000001152
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072353 RMS     0.000015363
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.899541D+02  0.135576D+00 -0.185906D+01
      2   0.135576D+00  0.888640D+02  0.780941D+00
      3  -0.185906D+01  0.780941D+00  0.743252D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.359174D+01  0.278753D+01 -0.776422D+01
      2  -0.132803D+02  0.488300D+01 -0.135099D+02
      3   0.155063D+02  0.862858D+01  0.869187D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.415157D+02 -0.198883D+02 -0.188698D+02
      2   0.251441D+02  0.258797D+02  0.239238D+01
      3   0.163716D+02 -0.599143D+01  0.164774D+02
      4   0.558286D+01 -0.505528D+01  0.134579D+02
      5  -0.168660D+02  0.953115D+01 -0.245766D+02
      6   0.942375D+01 -0.461745D+01  0.152756D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.464798D+01 -0.235044D+01 -0.163583D+01 -0.100890D+01  0.249935D+01
      2  -0.235044D+01 -0.948505D-01 -0.331510D+00  0.249935D+01  0.207825D+01
      3  -0.163583D+01 -0.331510D+00 -0.252936D+01 -0.409232D+00 -0.167189D+01
                 6             7             8             9            10 
      1  -0.409232D+00 -0.225080D+01 -0.542293D+00 -0.336355D+01  0.206726D+00
      2  -0.167189D+01 -0.542293D+00 -0.928669D+00 -0.762141D+00  0.289972D+01
      3  -0.148944D+00 -0.336355D+01 -0.762141D+00  0.469961D+01  0.159186D+00
                11            12            13            14            15 
      1   0.289972D+01  0.159186D+00  0.183317D+01 -0.422684D+01 -0.835312D+00
      2  -0.379754D+01 -0.132347D+01 -0.422684D+01  0.481832D+00  0.325617D+01
      3  -0.132347D+01  0.108283D+01 -0.835312D+00  0.325617D+01  0.100449D+01
                16            17            18            19            20 
      1   0.129842D+01 -0.185029D+01  0.555891D+00  0.215464D+01 -0.266172D+01
      2  -0.185029D+01  0.308930D+01  0.159133D+01 -0.266172D+01  0.326854D+01
      3   0.555891D+00  0.159133D+01 -0.179144D+00  0.145871D+01 -0.765830D+00
                21            22            23            24            25 
      1   0.145871D+01 -0.305054D+01  0.308997D+01 -0.113055D+01  0.742615D+00
      2  -0.765830D+00  0.308997D+01  0.555273D+01 -0.205108D+01 -0.725089D+00
      3  -0.188971D+01 -0.113055D+01 -0.205108D+01 -0.179109D+01 -0.124660D+01
                26            27            28            29            30 
      1  -0.725089D+00 -0.124660D+01 -0.216981D+01  0.244763D+01 -0.124685D+01
      2  -0.124510D+01 -0.185790D+01  0.244763D+01 -0.177049D+01  0.289729D+01
      3  -0.185790D+01 -0.357341D+01 -0.124685D+01  0.289729D+01  0.257860D+01
                31            32            33            34            35 
      1   0.365786D+01 -0.209303D+01  0.263692D+01 -0.160629D+01  0.360202D+01
      2  -0.209303D+01 -0.258166D+01  0.954587D+00  0.360202D+01  0.170179D+01
      3   0.263692D+01  0.954587D+00 -0.627032D+00  0.278302D+01 -0.102119D+01
                36            37            38            39            40 
      1   0.278302D+01  0.521502D+01 -0.434000D+01 -0.158054D+01 -0.426592D+01
      2  -0.102119D+01 -0.434000D+01  0.391431D+01  0.806723D+00  0.504784D+01
      3  -0.373545D+01 -0.158054D+01  0.806723D+00  0.774653D+00  0.118204D+01
                41            42            43            44            45 
      1   0.504784D+01  0.118204D+01 -0.226617D+01  0.156751D+01  0.193562D+01
      2  -0.103734D+02 -0.304848D+01  0.156751D+01 -0.328702D+01 -0.368093D+01
      3  -0.304848D+01 -0.219908D+01  0.193562D+01 -0.368093D+01 -0.278432D+01
                46            47            48            49            50 
      1   0.200538D+01  0.707406D+00 -0.140140D+01  0.242842D+00  0.187750D+00
      2   0.707406D+00  0.567667D+00 -0.235251D+00  0.187750D+00  0.124438D+00
      3  -0.140140D+01 -0.235251D+00  0.142559D+01  0.787653D-01 -0.838410D+00
                51            52            53            54            55 
      1   0.787653D-01 -0.257159D+01 -0.238169D+00  0.292211D+01  0.846839D+01
      2  -0.838410D+00 -0.238169D+00 -0.175105D+01  0.104038D+01  0.191011D+01
      3   0.353761D+00  0.292211D+01  0.104038D+01 -0.682061D+01  0.219938D+01
                56            57            58            59            60 
      1   0.191011D+01  0.219938D+01  0.670040D+00  0.927402D+00  0.261269D+00
      2   0.181691D+01  0.382591D+00  0.927402D+00  0.821683D+00  0.784749D+00
      3   0.382591D+00  0.175378D+01  0.261269D+00  0.784749D+00  0.305301D+00
                61            62            63            64            65 
      1   0.373878D+01  0.651137D+00  0.229152D+01  0.529171D+00  0.645747D+00
      2   0.651137D+00  0.146027D+01  0.795655D+00  0.645747D+00 -0.177163D-01
      3   0.229152D+01  0.795655D+00  0.140018D+01  0.101564D+01  0.150314D+00
                66            67            68            69            70 
      1   0.101564D+01  0.157892D+01 -0.233537D+00  0.103897D+00  0.149830D+01
      2   0.150314D+00 -0.233537D+00  0.760166D+00  0.123797D+01  0.206224D+00
      3   0.183786D+01  0.103897D+00  0.123797D+01  0.181735D+01  0.102254D+01
                71            72            73            74            75 
      1   0.206224D+00  0.102254D+01 -0.110040D+01 -0.110164D+01  0.827742D-01
      2   0.127959D+01  0.869390D+00 -0.110164D+01 -0.132760D+01  0.477386D+00
      3   0.869390D+00  0.801939D+01  0.827742D-01  0.477386D+00 -0.271526D+00
                76            77            78            79            80 
      1  -0.173334D+01 -0.145552D+01  0.399689D+00 -0.307957D-01  0.248956D+00
      2  -0.145552D+01 -0.802437D+01  0.229665D+01  0.248956D+00  0.816008D+00
      3   0.399689D+00  0.229665D+01 -0.168094D+01 -0.126583D+00 -0.110331D+01
                81            82            83            84            85 
      1  -0.126583D+00 -0.347342D+01  0.375900D+00  0.239510D+01  0.712175D+00
      2  -0.110331D+01  0.375900D+00 -0.836770D+00 -0.959088D+00 -0.742502D+00
      3   0.132975D+01  0.239510D+01 -0.959088D+00 -0.287952D+01 -0.103875D+01
                86            87            88            89            90 
      1  -0.742502D+00 -0.103875D+01  0.303741D+01 -0.966885D+00 -0.288227D+01
      2   0.145289D+01  0.116903D+01 -0.966885D+00  0.123781D+01  0.114132D+01
      3   0.116903D+01  0.149849D+01 -0.288227D+01  0.114132D+01  0.569904D+01
                91            92            93            94            95 
      1   0.278512D+01 -0.191157D+01  0.112131D+01 -0.303609D+01  0.250491D+01
      2  -0.191157D+01  0.174022D+01 -0.368543D+01  0.250491D+01  0.270317D+01
      3   0.112131D+01 -0.368543D+01 -0.145192D+01 -0.424005D+01 -0.126340D+01
                96            97            98            99           100 
      1  -0.424005D+01  0.483860D+00 -0.441241D+01 -0.108660D+01  0.151500D+01
      2  -0.126340D+01 -0.441241D+01 -0.196577D+01  0.157536D+01 -0.110686D+00
      3   0.102435D+01 -0.108660D+01  0.157536D+01  0.247917D+01 -0.940820D+00
               101           102           103           104           105 
      1  -0.110686D+00 -0.940820D+00 -0.447380D+00  0.297415D-01  0.579439D+00
      2   0.103172D+01  0.111869D+01  0.297415D-01 -0.185429D+01 -0.124962D+01
      3   0.111869D+01  0.215009D+01  0.579439D+00 -0.124962D+01 -0.164272D+01
               106           107           108           109           110 
      1  -0.161618D+01  0.451966D+00  0.588522D+00 -0.710473D+01  0.157409D+01
      2   0.451966D+00 -0.163533D+01 -0.191100D+01  0.157409D+01 -0.173615D+01
      3   0.588522D+00 -0.191100D+01 -0.492051D+01 -0.235338D+01  0.879263D+00
               111           112           113           114           115 
      1  -0.235338D+01  0.381815D+01 -0.174880D+01  0.163112D+01 -0.228247D+01
      2   0.879263D+00 -0.174880D+01  0.169213D+01 -0.616485D+00  0.943424D+00
      3  -0.155660D+01  0.163112D+01 -0.616485D+00  0.118437D+01 -0.183081D+01
               116           117           118           119           120 
      1   0.943424D+00 -0.183081D+01 -0.305702D+01 -0.196327D+01  0.673398D+00
      2  -0.518757D+00  0.461153D+00 -0.196327D+01 -0.228582D+01  0.935353D+00
      3   0.461153D+00 -0.184079D+01  0.673398D+00  0.935353D+00 -0.668093D+00
               121           122           123           124           125 
      1  -0.267184D+01 -0.321119D+01  0.101254D+01  0.197582D+01  0.176574D+01
      2  -0.321119D+01 -0.573321D+01  0.143072D+01  0.176574D+01  0.260861D+01
      3   0.101254D+01  0.143072D+01 -0.154430D+01 -0.789976D+00 -0.155483D+01
               126           127           128           129           130 
      1  -0.789976D+00  0.210081D+01  0.214126D+01  0.158300D+01  0.236266D+01
      2  -0.155483D+01  0.214126D+01 -0.253488D+01  0.573571D+00 -0.307020D+01
      3   0.151462D+01  0.158300D+01  0.573571D+00  0.580281D-01  0.685583D+00
               131           132           133           134           135 
      1  -0.307020D+01  0.685583D+00  0.159195D+01  0.915646D+00  0.307175D-01
      2  -0.433706D+01  0.203092D+01  0.915646D+00  0.317523D+01 -0.253700D+01
      3   0.203092D+01 -0.155683D+01  0.307175D-01 -0.253700D+01 -0.615007D+01
               136           137           138           139           140 
      1   0.891719D-01 -0.361854D+01 -0.765990D+00 -0.364397D+01  0.386568D+01
      2  -0.361854D+01  0.370642D+01 -0.103992D+01  0.386568D+01  0.468207D+00
      3  -0.765990D+00 -0.103992D+01 -0.206325D+00 -0.908397D+00 -0.105764D+01
               141           142           143           144           145 
      1  -0.908397D+00 -0.116034D+01 -0.693385D+00 -0.265914D+00  0.112233D+01
      2  -0.105764D+01 -0.693385D+00 -0.224072D+01  0.144160D+01  0.156179D+01
      3   0.170172D+01 -0.265914D+00  0.144160D+01  0.612440D+01 -0.703121D+00
               146           147           148           149           150 
      1   0.156179D+01 -0.703121D+00  0.169333D+01  0.226399D+01 -0.375955D+00
      2   0.205371D+01 -0.363431D+00  0.226399D+01  0.997478D+01 -0.177940D+01
      3  -0.363431D+00  0.251606D+00 -0.375955D+00 -0.177940D+01  0.139866D+01
               151           152           153           154           155 
      1  -0.111457D+01 -0.733454D+00  0.450983D+00 -0.280194D+00  0.767043D-01
      2  -0.733454D+00 -0.324876D+01  0.194948D+01  0.767043D-01  0.208021D+00
      3   0.450983D+00  0.194948D+01 -0.612742D+00  0.798819D+00 -0.103652D+00
               156           157           158           159           160 
      1   0.798819D+00  0.465655D-01  0.374696D+00  0.209424D-01  0.160420D+01
      2  -0.103652D+00  0.374696D+00  0.171501D+01  0.132550D+01  0.120795D+00
      3  -0.100601D+00  0.209424D-01  0.132550D+01  0.130260D+01  0.415018D+00
               161           162           163           164           165 
      1   0.120795D+00  0.415018D+00  0.425710D+00  0.395485D+00 -0.742597D+00
      2   0.219357D+01  0.261293D+01  0.395485D+00 -0.203116D+00  0.142331D+00
      3   0.261293D+01  0.742818D+01 -0.742597D+00  0.142331D+00  0.374946D+00
               166           167           168           169           170 
      1  -0.178102D+00 -0.547878D+00  0.769300D-02 -0.169580D+01 -0.262650D+00
      2  -0.547878D+00 -0.504210D+00 -0.784828D+00 -0.262650D+00 -0.140828D+01
      3   0.769300D-02 -0.784828D+00 -0.102367D+01 -0.666266D+00  0.245166D+00
               171           172           173           174           175 
      1  -0.666266D+00 -0.478389D+01  0.332202D+01 -0.116780D+00  0.342037D+01
      2   0.245166D+00  0.332202D+01 -0.370258D+01  0.444093D+00 -0.346185D+01
      3  -0.760286D+01 -0.116780D+00  0.444093D+00 -0.734329D+00  0.338347D+00
               176           177           178           179           180 
      1  -0.346185D+01  0.338347D+00  0.623663D+00 -0.487955D-01 -0.737365D+00
      2   0.558289D+01 -0.125053D+00 -0.487955D-01  0.667274D+00  0.704529D+00
      3  -0.125053D+00  0.623493D+00 -0.737365D+00  0.704529D+00 -0.474418D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.144885D+01  0.466653D+00  0.578749D+00 -0.888600D+00 -0.312336D+00
      2  -0.533549D+01 -0.122691D+01 -0.572560D+01  0.104841D+01 -0.230322D+01
      3   0.519984D+01 -0.835074D+01 -0.312717D+01 -0.379958D+01 -0.244300D+01
                 6             7             8             9            10 
      1  -0.373556D+01  0.120786D+01  0.487936D+01 -0.308621D+01  0.432285D+01
      2   0.170709D+01 -0.118772D+02 -0.329755D+01  0.854047D+01 -0.146144D+02
      3   0.474027D+01 -0.417102D+01  0.161480D+01 -0.863001D-01 -0.464513D+01
                11            12            13            14            15 
      1   0.379492D+01 -0.230568D+01  0.399339D+01 -0.154733D+01  0.710785D+01
      2  -0.661754D+01  0.270057D+01 -0.452019D+01  0.662531D+01 -0.191229D+01
      3  -0.625203D+01  0.230462D+01  0.356932D+00  0.164924D+01 -0.821391D+01
                16            17            18            19            20 
      1  -0.477518D+00  0.133676D+02  0.124881D+01 -0.390800D+01  0.196514D+01
      2  -0.115932D+02 -0.342910D+01  0.101790D+02 -0.416577D+01  0.622327D+01
      3  -0.212364D+01 -0.891380D+01  0.740772D+00  0.149932D+01  0.795381D+00
                21            22            23            24            25 
      1  -0.395569D+01  0.243243D+01  0.447822D+01 -0.762914D+01 -0.378761D+01
      2   0.279944D+01  0.715440D+01 -0.480635D+01  0.417164D+01 -0.861423D+01
      3  -0.199204D+01  0.628757D+01 -0.630292D+01  0.253601D+01 -0.265353D+01
                26            27            28            29            30 
      1  -0.262504D+01 -0.627209D+01  0.291398D+01 -0.971740D+00  0.167109D+00
      2   0.481577D+01 -0.134035D+00  0.833891D+01 -0.798954D+01  0.924665D+00
      3   0.313291D+01  0.117902D+01  0.422543D+01 -0.686265D+01  0.658033D+01
                31            32            33            34            35 
      1  -0.173616D+01  0.946144D+00 -0.144976D+01  0.146149D+01  0.582277D+01
      2  -0.120966D+02 -0.104938D+01  0.175574D+01 -0.171407D+01 -0.113136D+01
      3  -0.122695D+00 -0.437349D+01  0.232506D+01  0.886036D+01  0.207246D+01
                36            37            38            39            40 
      1   0.698778D+00 -0.341343D+01 -0.164794D+01  0.426720D+01  0.128991D+01
      2   0.280059D+01  0.128612D+01  0.375204D+01  0.496731D+01  0.322850D+01
      3  -0.271070D+01 -0.107142D+01 -0.318942D+01 -0.134467D+00  0.723845D+01
                41            42            43            44            45 
      1  -0.628970D-01 -0.101607D+02  0.166964D+01 -0.227743D+01 -0.444990D+01
      2  -0.683399D+01 -0.489614D+01  0.332856D+01 -0.199983D+01 -0.824513D+01
      3   0.123301D+02  0.294242D+01  0.460499D+01  0.575130D+01  0.209231D+01
                46            47            48            49            50 
      1   0.120487D+01  0.289205D+00 -0.112242D+01  0.406252D+00 -0.744627D+00
      2  -0.240315D+01 -0.926577D+00  0.401891D+01  0.181928D-01 -0.644303D+00
      3  -0.709261D-01 -0.136872D+01 -0.546872D+00  0.164739D+01  0.971294D+00
                51            52            53            54            55 
      1  -0.888511D+00 -0.254674D+01  0.163132D+01  0.538145D+01 -0.293127D+01
      2   0.201085D+00  0.407888D+01  0.331971D+01 -0.149230D+02  0.878149D+01
      3   0.987699D+00 -0.751664D+00  0.444548D+01 -0.342208D+00  0.537418D+01
                56            57            58            59            60 
      1  -0.777785D+00 -0.154177D+01  0.273948D+00  0.729124D+00 -0.101059D+01
      2   0.227784D+01  0.604977D+01  0.247518D+00  0.845151D+00  0.523213D+00
      3  -0.322711D+01  0.130415D+01  0.372451D+00 -0.125612D+01 -0.170804D+01
                61            62            63            64            65 
      1  -0.242853D+01 -0.256196D-01 -0.115750D+01  0.129358D+01  0.120672D+01
      2   0.575886D+01  0.288980D+01  0.390874D+01  0.180681D+00 -0.128664D+01
      3   0.314369D+01 -0.308284D+01  0.724552D+00 -0.266415D-01 -0.224087D+01
                66            67            68            69            70 
      1   0.288231D+01 -0.442206D+00  0.345398D+01  0.325231D+01  0.184622D+01
      2  -0.231558D+01 -0.164537D+01 -0.153343D+00 -0.111437D+01 -0.348718D+01
      3  -0.144158D+01 -0.145525D+00  0.119097D+00 -0.620818D+00 -0.107764D+01
                71            72            73            74            75 
      1   0.503199D+01  0.882687D+01 -0.124725D+01 -0.190942D+01 -0.208249D+00
      2  -0.609942D+00 -0.355631D+01  0.903621D+00  0.120931D+01  0.129386D+01
      3  -0.666549D+00 -0.204484D+01  0.118004D+01 -0.435028D+00  0.765894D+00
                76            77            78            79            80 
      1  -0.156880D+01 -0.744293D+01 -0.167214D+01  0.738138D+00  0.113166D+01
      2   0.300110D+01  0.131144D+01 -0.241274D-01 -0.121060D+01 -0.207483D+00
      3   0.539344D+01  0.633380D+00 -0.214070D+00  0.311694D+00  0.275413D+00
                81            82            83            84            85 
      1  -0.646388D-01  0.544826D-01 -0.142252D+01 -0.892991D-01 -0.165606D+00
      2  -0.290038D-01 -0.223133D+00  0.114913D+01  0.355241D+01  0.160403D+00
      3   0.125247D+00  0.164686D+00 -0.294029D+01 -0.175037D+01 -0.761895D-02
                86            87            88            89            90 
      1   0.110345D+01 -0.688355D+00  0.138891D+00  0.245796D+01 -0.362216D+00
      2  -0.311603D+00 -0.834315D+00 -0.221578D+01 -0.322078D+00 -0.591617D+01
      3   0.330449D+01  0.188620D+01 -0.195339D+01  0.314988D+01  0.205944D+01
                91            92            93            94            95 
      1   0.167884D+01 -0.572009D+01  0.164006D+01 -0.766147D+01 -0.396014D+01
      2  -0.154024D+01  0.105407D+02  0.754430D+01  0.119329D+02  0.463561D+01
      3  -0.877490D+01  0.369239D+01 -0.118817D+02  0.117066D+02  0.482718D+01
                96            97            98            99           100 
      1   0.187402D-01  0.281689D+01  0.443475D+01  0.152233D+01 -0.772942D+00
      2  -0.595375D+01  0.577285D+00 -0.654476D+01 -0.736069D+01  0.524412D+01
      3   0.104738D+01 -0.126016D+02 -0.669469D+00  0.460837D+01 -0.298334D+01
               101           102           103           104           105 
      1  -0.564732D+00  0.175395D+01  0.486144D+00  0.472755D+00 -0.210533D+01
      2  -0.286657D+01 -0.532024D+01 -0.274365D+01  0.337568D+01  0.468345D+01
      3   0.187552D+01  0.377978D+01  0.219969D+01 -0.424404D+01 -0.386801D+01
               106           107           108           109           110 
      1   0.624501D+00  0.125687D+01 -0.425290D+01 -0.339496D+01  0.283803D+01
      2  -0.554304D+01  0.506904D+01  0.125981D+02  0.176253D+01 -0.124286D+01
      3   0.383956D+01 -0.427753D+01 -0.588479D+01  0.902835D+01 -0.825344D+01
               111           112           113           114           115 
      1  -0.149478D+01  0.220067D+01 -0.222537D+01  0.214862D+00 -0.225290D+01
      2   0.506146D+01 -0.231744D+01  0.779118D+00 -0.308707D+01  0.150614D+01
      3   0.439643D+01 -0.575499D+01  0.702948D+01 -0.250839D+01  0.451044D+01
               116           117           118           119           120 
      1   0.202780D+01 -0.149571D+01  0.178329D+01  0.238709D+01 -0.197159D+01
      2  -0.658325D+00  0.467658D+01 -0.226922D+01 -0.334919D+01  0.301470D+01
      3  -0.295209D+01  0.253916D+01 -0.174616D+01 -0.554784D+01  0.194069D+01
               121           122           123           124           125 
      1   0.277287D+01  0.426232D+01 -0.491291D+01 -0.143534D+01 -0.183999D+01
      2  -0.326962D+01 -0.475803D+01  0.544504D+01  0.977703D+00  0.423094D+01
      3  -0.310697D+01 -0.125569D+02  0.294450D+01  0.167639D+01  0.547565D+01
               126           127           128           129           130 
      1   0.330290D+01 -0.240663D+01 -0.292134D+01 -0.111051D+00 -0.262756D+01
      2  -0.463400D+01  0.151821D+01  0.243181D+01  0.193677D+01  0.696370D+00
      3  -0.338169D+01  0.435721D+01  0.648024D+01  0.311571D+01  0.120958D+02
               131           132           133           134           135 
      1  -0.765905D+01  0.214818D+01  0.961133D+00  0.100209D+02  0.128153D+02
      2   0.238627D+01 -0.594469D+00 -0.408340D+01 -0.160573D+01 -0.366898D+01
      3  -0.518142D+01 -0.504236D+00  0.275537D+01 -0.105817D+01  0.917772D+00
               136           137           138           139           140 
      1   0.361363D+01  0.196572D-01  0.109552D+01 -0.796662D+00  0.423463D+01
      2   0.169894D+01 -0.199611D+01  0.208985D+01 -0.146802D+01  0.368038D+01
      3  -0.819474D+01 -0.628920D+01 -0.338643D+01  0.105546D+00  0.845442D+01
               141           142           143           144           145 
      1  -0.501007D+01  0.727905D+00  0.118187D+01 -0.104662D+02  0.181628D+01
      2  -0.218886D+01 -0.288284D+01 -0.267593D+01 -0.493451D+01 -0.249324D+00
      3  -0.216792D+01 -0.331150D+01 -0.356170D+01  0.176218D+01  0.183668D+01
               146           147           148           149           150 
      1   0.157744D+01 -0.130840D+01  0.135032D+01  0.586071D+01 -0.599870D+01
      2  -0.951238D+00  0.109894D+01  0.943278D-02 -0.198483D+01  0.154974D+01
      3   0.205437D+00 -0.130182D+01  0.513831D+01 -0.243788D+01  0.322275D+00
               151           152           153           154           155 
      1  -0.103414D+01 -0.392570D+01  0.204129D+01 -0.184539D+01  0.144803D+00
      2  -0.917504D+00  0.141015D+01 -0.446029D+00  0.543259D+00 -0.607681D-01
      3  -0.330730D+01  0.102207D+01 -0.255240D+00 -0.110124D+01 -0.138017D+01
               156           157           158           159           160 
      1   0.498158D+00  0.137328D+00 -0.185805D+01 -0.295529D+01 -0.508579D+00
      2   0.772589D+00 -0.385296D+00  0.687272D+00  0.859709D+00 -0.291353D+01
      3   0.172760D+01  0.264558D+00  0.486905D-01 -0.746200D+00  0.423430D+01
               161           162           163           164           165 
      1  -0.143600D+01 -0.159234D+02  0.122467D+01 -0.366861D-01 -0.836574D+00
      2   0.142815D+01  0.489835D+01  0.130115D+01  0.131025D+00  0.170178D+00
      3  -0.116725D+01 -0.580328D+00  0.115130D+01 -0.256565D+00 -0.120509D+01
               166           167           168           169           170 
      1   0.726176D+00  0.207814D+01  0.108350D+01  0.994236D+00  0.368966D+01
      2  -0.702376D+00 -0.112708D+00  0.124215D+01 -0.392871D+01 -0.266668D+00
      3   0.351145D+00 -0.167144D+01 -0.662382D+00 -0.308805D+01 -0.156969D+01
               171           172           173           174           175 
      1   0.114862D+02 -0.143546D+01  0.128259D+01  0.206244D+01  0.745960D+00
      2   0.702369D+01 -0.168663D+01  0.118970D+01  0.253095D+01  0.165138D+01
      3  -0.777608D+00 -0.547095D+01 -0.891570D+00  0.462284D+00  0.476306D+01
               176           177           178           179           180 
      1  -0.219765D+01 -0.277368D+01  0.135285D+01 -0.368039D+00  0.596837D+00
      2  -0.136847D+01 -0.153349D+01 -0.229698D+00 -0.481903D+00  0.150863D+00
      3   0.116701D+01  0.553705D+00  0.110250D+01  0.979134D+00 -0.685119D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.207246D+02 -0.136858D+02 -0.913906D+01 -0.187966D+01  0.205668D+01
      2   0.131402D+02  0.130870D+02  0.226994D+01  0.446243D+01  0.545826D+01
      3   0.758436D+01  0.598886D+00  0.686913D+01 -0.258277D+01 -0.751495D+01
      4  -0.129570D+02 -0.710626D+01 -0.562743D+01  0.432251D+01  0.672389D+01
      5  -0.109828D+02 -0.256223D+01 -0.114554D+02 -0.271251D+00 -0.292973D+01
      6  -0.313622D+01  0.105321D+00 -0.140017D+01 -0.342302D+00 -0.113636D+01
                 6             7             8             9            10 
      1  -0.130868D+01 -0.120512D+02 -0.425727D+01 -0.986009D+01 -0.151730D+00
      2   0.230492D+00  0.188599D+01 -0.206562D+01  0.158202D+02 -0.790716D+01
      3   0.107819D+01  0.101652D+02  0.632289D+01 -0.596010D+01  0.805889D+01
      4  -0.456140D+01 -0.868417D+01 -0.346804D+01 -0.807544D+01  0.129521D+02
      5  -0.197606D+00 -0.156076D+02 -0.483426D+01  0.159603D+02  0.568256D+01
      6   0.140537D+01 -0.518843D+01 -0.790909D+00  0.972326D+01 -0.143911D+01
                11            12            13            14            15 
      1  -0.181445D+01 -0.417699D+01  0.442046D-01 -0.595954D+00  0.186894D+01
      2   0.100154D+02 -0.517985D+00  0.508086D+01 -0.139879D+02 -0.352787D+01
      3  -0.820098D+01  0.469497D+01 -0.512507D+01  0.145838D+02  0.165893D+01
      4  -0.159892D+02 -0.247315D+01 -0.251723D+02  0.201960D+02  0.947437D+01
      5  -0.153311D+01 -0.370435D+00 -0.574820D+01  0.554031D+01  0.468749D+01
      6   0.603061D+01  0.104026D+01  0.273860D+01 -0.123713D+02 -0.101964D+02
                16            17            18            19            20 
      1   0.501161D+01  0.861448D+00  0.358581D+01 -0.465487D+01  0.563505D+01
      2   0.412419D+00 -0.953837D+01 -0.870568D+01  0.244023D+01 -0.490111D+01
      3  -0.542403D+01  0.867692D+01  0.511986D+01  0.221464D+01 -0.733943D+00
      4  -0.100382D+02  0.164974D+02  0.581509D+01 -0.623193D+01  0.564689D+01
      5   0.377812D+01  0.160753D+01  0.783275D+01 -0.540538D+01  0.159272D+01
      6   0.855336D+00 -0.330407D+01 -0.488885D+01 -0.305618D+01  0.245216D+01
                21            22            23            24            25 
      1   0.453514D+01  0.894390D+01  0.129128D+02  0.469333D+01 -0.315710D+00
      2   0.546288D+01 -0.791570D+01 -0.175857D+02  0.929667D+01  0.340463D+01
      3  -0.999802D+01 -0.102820D+01  0.467289D+01 -0.139900D+02 -0.308892D+01
      4   0.506164D+00  0.553094D+01 -0.639159D+01  0.693377D+00  0.213604D+01
      5   0.297618D+01  0.300178D+01  0.251518D+01 -0.284153D+01  0.262940D+01
      6   0.984011D+00  0.337020D+01  0.121365D+02  0.914474D-01 -0.453697D+00
                26            27            28            29            30 
      1   0.471131D+01  0.110613D+02 -0.377711D+00 -0.553991D+01  0.433141D+01
      2   0.629034D+01  0.936959D+01  0.226427D+01 -0.342772D+00 -0.441852D+01
      3  -0.110017D+02 -0.204309D+02 -0.188656D+01  0.588268D+01  0.871173D-01
      4  -0.966936D+00 -0.314050D+01 -0.715325D+00 -0.213096D+01 -0.888326D+01
      5  -0.224884D+01 -0.868812D+01  0.754020D+01 -0.999857D+01 -0.148153D+02
      6   0.253096D+01  0.108518D+01 -0.425652D+01 -0.312857D+01  0.137312D+01
                31            32            33            34            35 
      1  -0.764928D+01  0.350544D+01 -0.111699D+02  0.225039D+00 -0.109800D+02
      2   0.173074D+01 -0.123213D+01  0.534134D+01 -0.467032D+01  0.609124D+01
      3   0.591854D+01 -0.227330D+01  0.582851D+01  0.444528D+01  0.488873D+01
      4  -0.576140D+01  0.602655D+01 -0.141059D+01 -0.890172D+01 -0.495440D+01
      5  -0.146614D+02 -0.231621D+01  0.525246D+01 -0.134628D+02  0.453588D+01
      6  -0.168264D+01 -0.156865D+01 -0.430262D+01  0.147619D+01 -0.216235D+01
                36            37            38            39            40 
      1  -0.107476D+02  0.202755D+02 -0.655065D+01 -0.268770D+01 -0.549083D+01
      2   0.745538D+01 -0.529330D+00 -0.759092D+01  0.159062D+01 -0.961368D+01
      3   0.329218D+01 -0.197462D+02  0.141416D+02  0.109709D+01  0.151045D+02
      4   0.358879D+01 -0.295163D+02  0.307674D+02  0.622298D+01  0.350809D+02
      5   0.185561D+02 -0.613581D+01  0.354086D+01  0.924729D+01  0.566621D+01
      6  -0.624158D+01  0.559898D+01 -0.401107D+01 -0.599926D+01 -0.532979D+01
                41            42            43            44            45 
      1  -0.126550D+02 -0.525488D+01 -0.154375D+01 -0.547077D+01 -0.640390D+01
      2   0.383253D+02  0.674482D+01  0.151494D+00  0.866672D+01  0.287681D+01
      3  -0.256703D+02 -0.148994D+01  0.139225D+01 -0.319595D+01  0.352709D+01
      4  -0.468112D+02 -0.105624D+02  0.107082D+02 -0.137564D+02 -0.141998D+02
      5  -0.673709D+01 -0.996985D+01  0.111220D+02 -0.114623D+02 -0.122234D+02
      6   0.157837D+02  0.175464D+02 -0.749582D+01  0.188324D+02  0.132791D+02
                46            47            48            49            50 
      1   0.866007D+01  0.283437D+01 -0.449891D+01 -0.531189D-01 -0.182800D+01
      2  -0.821908D+01 -0.244445D+01  0.523014D+01  0.787646D+00  0.851997D-01
      3  -0.440989D+00 -0.389915D+00 -0.731228D+00 -0.734527D+00  0.174280D+01
      4   0.538211D+01  0.454598D+01 -0.284255D+01  0.362938D+01  0.135628D+01
      5  -0.779278D+01 -0.156540D+01  0.107525D+02  0.264211D+00 -0.379670D+01
      6  -0.305997D+01 -0.138020D+01  0.237297D+01 -0.216862D+01 -0.210115D+01
                51            52            53            54            55 
      1   0.162457D+01 -0.692091D+01  0.250671D+01 -0.297243D+00  0.475404D+02
      2  -0.195971D+01  0.104310D+02 -0.310216D+00 -0.182752D+02 -0.264402D+02
      3   0.335137D+00 -0.351005D+01 -0.219649D+01  0.185725D+02 -0.211002D+02
      4  -0.415518D+01 -0.417033D+01 -0.643304D+01  0.736822D+01  0.209049D+02
      5   0.796647D+00  0.165325D+02  0.471309D+01 -0.281408D+02  0.150787D+02
      6   0.588443D+01  0.514782D+01  0.592258D+01 -0.122923D+02  0.327336D+01
                56            57            58            59            60 
      1   0.964544D+01  0.115519D+02  0.103817D+01  0.346471D+01  0.101198D+01
      2  -0.446838D+01 -0.697111D+01  0.133907D+01  0.242184D+00  0.393437D+00
      3  -0.517706D+01 -0.458077D+01 -0.237724D+01 -0.370689D+01 -0.140542D+01
      4   0.133556D+02  0.494051D+01  0.957577D+01  0.555631D+01  0.376409D+01
      5   0.284321D+01  0.113724D+02  0.141662D+01  0.403451D+01  0.138999D+01
      6   0.122331D+01  0.303827D+01  0.136762D+01  0.101088D+01  0.235259D+01
                61            62            63            64            65 
      1   0.180982D+02  0.334322D+01  0.883119D+01  0.104535D+01 -0.790054D+00
      2  -0.114894D+02 -0.202077D+00 -0.827736D+01 -0.509054D+01  0.380629D+00
      3  -0.660885D+01 -0.314115D+01 -0.553831D+00  0.404519D+01  0.409425D+00
      4   0.855503D+01  0.707064D+01  0.664665D+01  0.129313D+00  0.103185D+01
      5   0.146889D+02  0.516891D+01  0.949330D+01  0.449878D+01  0.764402D+00
      6   0.423885D+01  0.309627D+01  0.187425D+01  0.300838D+00  0.107296D+01
                66            67            68            69            70 
      1  -0.454091D+01 -0.812877D+00 -0.410227D+01 -0.474617D+01 -0.193448D+01
      2  -0.456845D+01  0.870796D+00 -0.901881D+00 -0.576469D+01 -0.249535D+01
      3   0.910936D+01 -0.579189D-01  0.500415D+01  0.105109D+02  0.442982D+01
      4  -0.564397D+00 -0.927206D+00  0.164107D+01  0.107936D+01 -0.179785D+01
      5   0.792609D+01  0.147887D+01  0.105152D+01  0.172977D+01  0.607007D+01
      6  -0.235481D+01  0.604581D+00  0.966828D+00  0.343296D+01 -0.681879D+00
                71            72            73            74            75 
      1  -0.154501D+01 -0.230738D+02  0.299928D+00 -0.135064D+01  0.681292D+00
      2  -0.374561D+01 -0.192926D+02  0.266033D+01  0.239469D+01 -0.402171D+00
      3   0.529062D+01  0.423664D+02 -0.296026D+01 -0.104405D+01 -0.279121D+00
      4   0.869072D+00  0.102292D+01  0.429859D+01  0.773702D+01 -0.190202D+01
      5   0.803479D+00  0.725988D+01 -0.218304D+01 -0.326678D+01  0.305687D+01
      6   0.470549D+01 -0.645440D+01 -0.255674D+01 -0.318220D+01  0.220508D+01
                76            77            78            79            80 
      1  -0.209725D+01 -0.208089D+02  0.773168D+01 -0.426536D+00  0.291056D+01
      2   0.414358D+01  0.305087D+02 -0.620040D+01  0.654113D-01 -0.100234D+01
      3  -0.204633D+01 -0.969985D+01 -0.153127D+01  0.361125D+00 -0.190822D+01
      4   0.762177D+01  0.804932D+01 -0.207470D+01 -0.918194D+00 -0.105562D+01
      5  -0.246237D+01 -0.263501D+01  0.180545D+01  0.168818D+01  0.208059D+01
      6  -0.338827D+01 -0.197602D+02  0.114350D+02  0.162289D+01  0.807799D+01
                81            82            83            84            85 
      1  -0.553419D+01  0.143835D+02 -0.897180D+00 -0.756625D+01 -0.175998D+01
      2   0.172980D+01 -0.124239D+02  0.150260D+01  0.943289D+01  0.238655D+01
      3   0.380439D+01 -0.195958D+01 -0.605425D+00 -0.186664D+01 -0.626572D+00
      4   0.181413D+01 -0.373661D+01  0.606610D+01  0.497991D+01  0.607074D+01
      5  -0.680826D+00 -0.165748D+02  0.519153D+01  0.178018D+02  0.572745D+01
      6  -0.513990D+01  0.365106D+01 -0.154856D+01 -0.247330D+01 -0.307179D+01
                86            87            88            89            90 
      1  -0.584416D+00  0.120168D+01 -0.738172D+01  0.468795D+00  0.139914D+01
      2  -0.123539D+00 -0.253378D+01  0.107133D+02 -0.205882D+01 -0.156678D+02
      3   0.707955D+00  0.133210D+01 -0.333156D+01  0.159002D+01  0.142686D+02
      4  -0.501372D+01 -0.532409D+01  0.398408D+01 -0.474422D+01 -0.665607D+01
      5  -0.622217D+01 -0.678231D+01  0.183579D+02 -0.578935D+01 -0.272799D+02
      6   0.353160D+01  0.718007D+01 -0.389462D+01  0.527274D+01  0.617813D+01
                91            92            93            94            95 
      1  -0.147988D+02  0.905974D+01 -0.155405D+02  0.152936D+02 -0.907525D+01
      2   0.101618D+02 -0.118778D+02  0.948889D+01 -0.169728D+02 -0.859224D+00
      3   0.463701D+01  0.281804D+01  0.605156D+01  0.167919D+01  0.993447D+01
      4   0.832062D+01 -0.880116D+01  0.158942D+02 -0.112199D+02 -0.145419D+02
      5  -0.826715D+01  0.192906D+02  0.284757D+01  0.241505D+02  0.719714D+01
      6   0.501588D+01  0.681986D+01  0.731177D+01  0.700026D+01  0.539171D+01
                96            97            98            99           100 
      1   0.228101D+02 -0.121752D+02  0.215478D+02  0.104910D+02 -0.576614D+01
      2  -0.728898D+01  0.109270D+02 -0.524809D+01 -0.454749D+01  0.167431D+01
      3  -0.155212D+02  0.124819D+01 -0.162997D+02 -0.594350D+01  0.409183D+01
      4   0.108037D+02  0.201947D+02  0.133247D+02 -0.243373D+01 -0.370869D+01
      5  -0.179727D+01  0.938652D+00 -0.301109D+01 -0.614398D+01 -0.241460D+00
      6  -0.383588D+01  0.661291D+01 -0.445419D+01 -0.429678D+01  0.226977D+01
               101           102           103           104           105 
      1   0.328387D+01  0.963699D+01  0.278550D+01 -0.627536D+01 -0.902650D+01
      2  -0.208247D+01 -0.193446D+01 -0.649659D+00  0.556122D+01  0.371947D+01
      3  -0.120140D+01 -0.770253D+01 -0.213584D+01  0.714137D+00  0.530703D+01
      4  -0.951660D+00 -0.164958D+01  0.340570D+01  0.596823D+01  0.251193D+01
      5  -0.313220D+01 -0.354050D+01 -0.163140D+01  0.308997D+01  0.523134D+01
      6  -0.450719D+01 -0.577358D+01 -0.206202D+01  0.655525D+01  0.903989D+01
               106           107           108           109           110 
      1   0.104367D+02 -0.915552D+01 -0.165986D+02  0.487649D+02 -0.115397D+02
      2  -0.424383D+01  0.378816D+01 -0.132696D+01 -0.294444D+02  0.847548D+01
      3  -0.619285D+01  0.536736D+01  0.179256D+02 -0.193206D+02  0.306422D+01
      4   0.127208D+01  0.433662D+01  0.409505D+01 -0.626062D+01  0.112522D+02
      5   0.269036D+01  0.582055D+01  0.148811D+02  0.203072D+02 -0.630927D+01
      6  -0.240886D+01  0.965390D+01  0.147284D+02 -0.987734D+00  0.179919D+01
               111           112           113           114           115 
      1   0.136615D+02 -0.229653D+02  0.963575D+01 -0.759644D+01  0.146513D+02
      2  -0.112280D+02  0.149220D+02 -0.498180D+01  0.593687D+01 -0.118848D+02
      3  -0.243346D+01  0.804332D+01 -0.465396D+01  0.165957D+01 -0.276651D+01
      4  -0.322362D+01  0.104276D+02 -0.100480D+02  0.288789D+01 -0.349982D+01
      5   0.139694D+02 -0.117203D+02  0.479851D+01 -0.821544D+01  0.150762D+02
      6  -0.454099D+00  0.189667D+01 -0.360375D+01  0.223304D+01 -0.846361D+00
               116           117           118           119           120 
      1  -0.501261D+01  0.750363D+01  0.167586D+02  0.861178D+01 -0.276952D+01
      2   0.387932D+01 -0.851217D+01 -0.454531D+01  0.168291D+01 -0.256204D+00
      3   0.113329D+01  0.100854D+01 -0.122133D+02 -0.102947D+02  0.302572D+01
      4   0.251930D+01 -0.225070D+01  0.160216D+02  0.177850D+02 -0.657129D+01
      5  -0.426683D+01  0.123489D+02 -0.363127D+01 -0.552838D+01  0.583639D+01
      6   0.295689D+01  0.343362D+00 -0.238760D+01 -0.147538D+01  0.173682D+01
               121           122           123           124           125 
      1   0.110741D+02  0.478817D+01 -0.326851D+01 -0.829143D+01 -0.427423D+01
      2   0.258918D+01  0.143333D+02 -0.295914D+01  0.148119D+01 -0.376339D+01
      3  -0.136632D+02 -0.191214D+02  0.622764D+01  0.681024D+01  0.803762D+01
      4   0.231578D+02  0.332288D+02 -0.887069D+01 -0.120158D+02 -0.146002D+02
      5  -0.558211D+01 -0.765468D+01  0.838588D+01  0.671326D+01  0.847625D+01
      6  -0.222520D+01 -0.396782D+01  0.663179D+01  0.271925D+01  0.651601D+01
               126           127           128           129           130 
      1   0.559767D+00 -0.242262D+01  0.892016D+01 -0.129806D+00  0.113131D+02
      2   0.122040D+01  0.577456D+01 -0.136064D+02  0.277546D+01 -0.159467D+02
      3  -0.178017D+01 -0.335193D+01  0.468626D+01 -0.264566D+01  0.463359D+01
      4   0.854393D+01  0.355346D+01  0.958251D+00  0.508157D+01  0.157539D+01
      5  -0.930258D+01  0.214123D+01  0.139167D+01 -0.234427D+00 -0.718727D+00
      6  -0.574194D+01  0.607724D+01  0.330884D+01  0.537625D-02  0.420423D+01
               131           132           133           134           135 
      1   0.140053D+02 -0.461373D+01 -0.357231D+00 -0.372707D+01  0.142035D+02
      2  -0.266718D+02  0.111315D+02  0.344369D+01  0.156654D+02 -0.905869D+01
      3   0.126665D+02 -0.651773D+01 -0.308646D+01 -0.119384D+02 -0.514477D+01
      4  -0.159433D+02  0.537131D+01  0.465737D+01  0.650026D+01 -0.255787D+01
      5   0.393462D+01 -0.839648D+00  0.712916D+00 -0.278543D+01 -0.589632D+01
      6   0.133256D+02 -0.723480D+01 -0.844715D+00 -0.122931D+02 -0.246185D+02
               136           137           138           139           140 
      1   0.287935D+01 -0.360369D+00  0.136882D+01 -0.278549D+01 -0.796544D+01
      2  -0.119655D+02  0.109502D+02 -0.273160D+01  0.129809D+02 -0.597898D+00
      3   0.908620D+01 -0.105899D+02  0.136278D+01 -0.101954D+02  0.856334D+01
      4   0.103304D+02 -0.196040D+02 -0.885093D+00 -0.178169D+02  0.128699D+02
      5   0.164612D+01  0.264012D+01  0.205303D+01  0.350665D+01 -0.438137D+00
      6  -0.305394D+01 -0.247338D+01 -0.144088D+01 -0.248814D+01 -0.377707D+01
               141           142           143           144           145 
      1   0.526895D+01  0.135095D+01  0.389260D+01  0.742096D+01 -0.931955D+00
      2  -0.152176D+01 -0.449915D+00 -0.501279D+01  0.106613D+02  0.666479D+01
      3  -0.374719D+01 -0.901032D+00  0.112019D+01 -0.180823D+02 -0.573284D+01
      4  -0.965254D+00 -0.693123D+00  0.272109D+01  0.520820D-01  0.803774D+01
      5  -0.236283D+01  0.251983D+01 -0.134035D+01 -0.863954D+01 -0.161657D+01
      6   0.506097D+01 -0.203974D-01  0.393241D+01  0.149895D+02 -0.397478D+01
               146           147           148           149           150 
      1  -0.327049D+01  0.544498D-01 -0.446803D+01 -0.314258D+02  0.568964D+01
      2   0.996341D+01 -0.130786D+01  0.115552D+02  0.588715D+02 -0.102327D+02
      3  -0.669292D+01  0.125341D+01 -0.708713D+01 -0.274457D+02  0.454308D+01
      4   0.133315D+02 -0.343654D+01  0.122558D+02  0.226348D+02 -0.399731D+01
      5  -0.179044D+01  0.248738D+01 -0.160163D+01 -0.282088D+01  0.270808D+01
      6  -0.248537D+01  0.205320D+01 -0.268010D+01 -0.135714D+02  0.104461D+02
               151           152           153           154           155 
      1   0.992256D+00  0.102671D+02 -0.719919D+01  0.321136D+00 -0.629939D-01
      2  -0.305993D+01 -0.172675D+02  0.796416D+01 -0.230059D+01  0.732009D+00
      3   0.206767D+01  0.700039D+01 -0.764971D+00  0.197945D+01 -0.669015D+00
      4  -0.536209D+01 -0.716422D+01  0.412132D+01 -0.629199D+00  0.292601D+01
      5   0.248619D+01  0.352582D+01 -0.170669D+01  0.980741D+00  0.149643D+01
      6   0.298782D+01  0.134950D+02 -0.590211D+01  0.358395D+01 -0.820879D+00
               156           157           158           159           160 
      1   0.145387D+01 -0.132488D+01 -0.726417D+01 -0.534927D+01  0.132019D+01
      2  -0.132547D+01  0.200435D+01  0.844799D+01  0.407856D+01 -0.104846D+01
      3  -0.128396D+00 -0.679463D+00 -0.118381D+01  0.127070D+01 -0.271726D+00
      4   0.359830D+01  0.198714D+01  0.277716D+01  0.112375D+01  0.539981D+01
      5   0.548625D+01  0.842649D+00  0.115822D+01  0.116088D+01  0.433029D+01
      6  -0.684911D+00  0.128200D+00  0.666613D+01  0.985633D+01  0.197414D+01
               161           162           163           164           165 
      1  -0.982160D+01 -0.187943D+02 -0.140867D+01 -0.391201D+00  0.167064D+01
      2   0.735005D+01  0.618215D+00 -0.550367D+00 -0.969927D+00  0.125416D+00
      3   0.247155D+01  0.181761D+02  0.195904D+01  0.136113D+01 -0.179606D+01
      4   0.238516D+01  0.342410D+01 -0.727439D-01  0.365821D+01 -0.121332D+01
      5   0.314375D+01  0.837985D+01  0.782916D+00 -0.138589D+00  0.469846D+01
      6   0.163762D+02  0.327793D+02 -0.113289D+01  0.285255D+00  0.183754D+01
               166           167           168           169           170 
      1   0.106062D+01 -0.480035D+00 -0.376505D+00  0.201419D+01  0.367442D+01
      2  -0.258525D+01 -0.121608D+01 -0.367878D+01 -0.260544D+01 -0.391090D+01
      3   0.152463D+01  0.169611D+01  0.405529D+01  0.591259D+00  0.236480D+00
      4   0.292950D+01 -0.954890D+00  0.117721D+01 -0.283038D+01  0.258339D+01
      5   0.360911D+00  0.102154D+01  0.262954D+01  0.526728D+01 -0.614351D+00
      6   0.200959D+00 -0.968414D+00  0.254957D+01 -0.166624D+01  0.524454D+01
               171           172           173           174           175 
      1  -0.144312D+02  0.102470D+02 -0.155615D+01 -0.375154D+00 -0.356868D+00
      2  -0.146865D+02  0.466650D+01 -0.109905D+02  0.525028D+00 -0.109886D+02
      3   0.291177D+02 -0.149135D+02  0.125467D+02 -0.149875D+00  0.113455D+02
      4  -0.254097D+01 -0.259668D+02  0.243850D+02 -0.117048D+01  0.232810D+02
      5   0.116449D+02  0.231357D+01 -0.214561D+01  0.422958D+01 -0.201841D+01
      6  -0.178530D+02 -0.729393D+00  0.191531D+01 -0.337741D+01  0.206850D+01
               176           177           178           179           180 
      1  -0.655082D+01  0.289004D+00 -0.146291D+01 -0.460542D+00 -0.166623D+01
      2   0.248095D+02 -0.164042D+00  0.270675D+00  0.187383D+01  0.108445D+01
      3  -0.182586D+02 -0.124962D+00  0.119223D+01 -0.141328D+01  0.581775D+00
      4  -0.271881D+02  0.117561D+01  0.200435D+01 -0.166463D+01 -0.463726D+01
      5   0.120909D+01 -0.277106D+01  0.342240D+01 -0.338748D+01  0.486045D+00
      6  -0.176116D+01  0.474887D+01 -0.399861D+01  0.525531D+01 -0.770165D+00
 Leave Link  716 at Sat Jul 24 17:01:20 2021, MaxMem= 16106127360 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.899541D+02  0.135576D+00 -0.185906D+01
      2   0.135576D+00  0.888640D+02  0.780941D+00
      3  -0.185906D+01  0.780941D+00  0.743252D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.359174D+01  0.278753D+01 -0.776422D+01
      2  -0.132803D+02  0.488300D+01 -0.135099D+02
      3   0.155063D+02  0.862858D+01  0.869187D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.415157D+02 -0.198883D+02 -0.188698D+02
      2   0.251441D+02  0.258797D+02  0.239238D+01
      3   0.163716D+02 -0.599143D+01  0.164774D+02
      4   0.558286D+01 -0.505528D+01  0.134579D+02
      5  -0.168660D+02  0.953115D+01 -0.245766D+02
      6   0.942375D+01 -0.461745D+01  0.152756D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.464798D+01 -0.235044D+01 -0.163583D+01 -0.100890D+01  0.249935D+01
      2  -0.235044D+01 -0.948505D-01 -0.331510D+00  0.249935D+01  0.207825D+01
      3  -0.163583D+01 -0.331510D+00 -0.252936D+01 -0.409232D+00 -0.167189D+01
                 6             7             8             9            10 
      1  -0.409232D+00 -0.225080D+01 -0.542293D+00 -0.336355D+01  0.206726D+00
      2  -0.167189D+01 -0.542293D+00 -0.928669D+00 -0.762141D+00  0.289972D+01
      3  -0.148944D+00 -0.336355D+01 -0.762141D+00  0.469961D+01  0.159186D+00
                11            12            13            14            15 
      1   0.289972D+01  0.159186D+00  0.183317D+01 -0.422684D+01 -0.835312D+00
      2  -0.379754D+01 -0.132347D+01 -0.422684D+01  0.481832D+00  0.325617D+01
      3  -0.132347D+01  0.108283D+01 -0.835312D+00  0.325617D+01  0.100449D+01
                16            17            18            19            20 
      1   0.129842D+01 -0.185029D+01  0.555891D+00  0.215464D+01 -0.266172D+01
      2  -0.185029D+01  0.308930D+01  0.159133D+01 -0.266172D+01  0.326854D+01
      3   0.555891D+00  0.159133D+01 -0.179144D+00  0.145871D+01 -0.765830D+00
                21            22            23            24            25 
      1   0.145871D+01 -0.305054D+01  0.308997D+01 -0.113055D+01  0.742615D+00
      2  -0.765830D+00  0.308997D+01  0.555273D+01 -0.205108D+01 -0.725089D+00
      3  -0.188971D+01 -0.113055D+01 -0.205108D+01 -0.179109D+01 -0.124660D+01
                26            27            28            29            30 
      1  -0.725089D+00 -0.124660D+01 -0.216981D+01  0.244763D+01 -0.124685D+01
      2  -0.124510D+01 -0.185790D+01  0.244763D+01 -0.177049D+01  0.289729D+01
      3  -0.185790D+01 -0.357341D+01 -0.124685D+01  0.289729D+01  0.257860D+01
                31            32            33            34            35 
      1   0.365786D+01 -0.209303D+01  0.263692D+01 -0.160629D+01  0.360202D+01
      2  -0.209303D+01 -0.258166D+01  0.954587D+00  0.360202D+01  0.170179D+01
      3   0.263692D+01  0.954587D+00 -0.627032D+00  0.278302D+01 -0.102119D+01
                36            37            38            39            40 
      1   0.278302D+01  0.521502D+01 -0.434000D+01 -0.158054D+01 -0.426592D+01
      2  -0.102119D+01 -0.434000D+01  0.391431D+01  0.806723D+00  0.504784D+01
      3  -0.373545D+01 -0.158054D+01  0.806723D+00  0.774653D+00  0.118204D+01
                41            42            43            44            45 
      1   0.504784D+01  0.118204D+01 -0.226617D+01  0.156751D+01  0.193562D+01
      2  -0.103734D+02 -0.304848D+01  0.156751D+01 -0.328702D+01 -0.368093D+01
      3  -0.304848D+01 -0.219908D+01  0.193562D+01 -0.368093D+01 -0.278432D+01
                46            47            48            49            50 
      1   0.200538D+01  0.707406D+00 -0.140140D+01  0.242842D+00  0.187750D+00
      2   0.707406D+00  0.567667D+00 -0.235251D+00  0.187750D+00  0.124438D+00
      3  -0.140140D+01 -0.235251D+00  0.142559D+01  0.787653D-01 -0.838410D+00
                51            52            53            54            55 
      1   0.787653D-01 -0.257159D+01 -0.238169D+00  0.292211D+01  0.846839D+01
      2  -0.838410D+00 -0.238169D+00 -0.175105D+01  0.104038D+01  0.191011D+01
      3   0.353761D+00  0.292211D+01  0.104038D+01 -0.682061D+01  0.219938D+01
                56            57            58            59            60 
      1   0.191011D+01  0.219938D+01  0.670040D+00  0.927402D+00  0.261269D+00
      2   0.181691D+01  0.382591D+00  0.927402D+00  0.821683D+00  0.784749D+00
      3   0.382591D+00  0.175378D+01  0.261269D+00  0.784749D+00  0.305301D+00
                61            62            63            64            65 
      1   0.373878D+01  0.651137D+00  0.229152D+01  0.529171D+00  0.645747D+00
      2   0.651137D+00  0.146027D+01  0.795655D+00  0.645747D+00 -0.177163D-01
      3   0.229152D+01  0.795655D+00  0.140018D+01  0.101564D+01  0.150314D+00
                66            67            68            69            70 
      1   0.101564D+01  0.157892D+01 -0.233537D+00  0.103897D+00  0.149830D+01
      2   0.150314D+00 -0.233537D+00  0.760166D+00  0.123797D+01  0.206224D+00
      3   0.183786D+01  0.103897D+00  0.123797D+01  0.181735D+01  0.102254D+01
                71            72            73            74            75 
      1   0.206224D+00  0.102254D+01 -0.110040D+01 -0.110164D+01  0.827742D-01
      2   0.127959D+01  0.869390D+00 -0.110164D+01 -0.132760D+01  0.477386D+00
      3   0.869390D+00  0.801939D+01  0.827742D-01  0.477386D+00 -0.271526D+00
                76            77            78            79            80 
      1  -0.173334D+01 -0.145552D+01  0.399689D+00 -0.307957D-01  0.248956D+00
      2  -0.145552D+01 -0.802437D+01  0.229665D+01  0.248956D+00  0.816008D+00
      3   0.399689D+00  0.229665D+01 -0.168094D+01 -0.126583D+00 -0.110331D+01
                81            82            83            84            85 
      1  -0.126583D+00 -0.347342D+01  0.375900D+00  0.239510D+01  0.712175D+00
      2  -0.110331D+01  0.375900D+00 -0.836770D+00 -0.959088D+00 -0.742502D+00
      3   0.132975D+01  0.239510D+01 -0.959088D+00 -0.287952D+01 -0.103875D+01
                86            87            88            89            90 
      1  -0.742502D+00 -0.103875D+01  0.303741D+01 -0.966885D+00 -0.288227D+01
      2   0.145289D+01  0.116903D+01 -0.966885D+00  0.123781D+01  0.114132D+01
      3   0.116903D+01  0.149849D+01 -0.288227D+01  0.114132D+01  0.569904D+01
                91            92            93            94            95 
      1   0.278512D+01 -0.191157D+01  0.112131D+01 -0.303609D+01  0.250491D+01
      2  -0.191157D+01  0.174022D+01 -0.368543D+01  0.250491D+01  0.270317D+01
      3   0.112131D+01 -0.368543D+01 -0.145192D+01 -0.424005D+01 -0.126340D+01
                96            97            98            99           100 
      1  -0.424005D+01  0.483860D+00 -0.441241D+01 -0.108660D+01  0.151500D+01
      2  -0.126340D+01 -0.441241D+01 -0.196577D+01  0.157536D+01 -0.110686D+00
      3   0.102435D+01 -0.108660D+01  0.157536D+01  0.247917D+01 -0.940820D+00
               101           102           103           104           105 
      1  -0.110686D+00 -0.940820D+00 -0.447380D+00  0.297415D-01  0.579439D+00
      2   0.103172D+01  0.111869D+01  0.297415D-01 -0.185429D+01 -0.124962D+01
      3   0.111869D+01  0.215009D+01  0.579439D+00 -0.124962D+01 -0.164272D+01
               106           107           108           109           110 
      1  -0.161618D+01  0.451966D+00  0.588522D+00 -0.710473D+01  0.157409D+01
      2   0.451966D+00 -0.163533D+01 -0.191100D+01  0.157409D+01 -0.173615D+01
      3   0.588522D+00 -0.191100D+01 -0.492051D+01 -0.235338D+01  0.879263D+00
               111           112           113           114           115 
      1  -0.235338D+01  0.381815D+01 -0.174880D+01  0.163112D+01 -0.228247D+01
      2   0.879263D+00 -0.174880D+01  0.169213D+01 -0.616485D+00  0.943424D+00
      3  -0.155660D+01  0.163112D+01 -0.616485D+00  0.118437D+01 -0.183081D+01
               116           117           118           119           120 
      1   0.943424D+00 -0.183081D+01 -0.305702D+01 -0.196327D+01  0.673398D+00
      2  -0.518757D+00  0.461153D+00 -0.196327D+01 -0.228582D+01  0.935353D+00
      3   0.461153D+00 -0.184079D+01  0.673398D+00  0.935353D+00 -0.668093D+00
               121           122           123           124           125 
      1  -0.267184D+01 -0.321119D+01  0.101254D+01  0.197582D+01  0.176574D+01
      2  -0.321119D+01 -0.573321D+01  0.143072D+01  0.176574D+01  0.260861D+01
      3   0.101254D+01  0.143072D+01 -0.154430D+01 -0.789976D+00 -0.155483D+01
               126           127           128           129           130 
      1  -0.789976D+00  0.210081D+01  0.214126D+01  0.158300D+01  0.236266D+01
      2  -0.155483D+01  0.214126D+01 -0.253488D+01  0.573571D+00 -0.307020D+01
      3   0.151462D+01  0.158300D+01  0.573571D+00  0.580281D-01  0.685583D+00
               131           132           133           134           135 
      1  -0.307020D+01  0.685583D+00  0.159195D+01  0.915646D+00  0.307175D-01
      2  -0.433706D+01  0.203092D+01  0.915646D+00  0.317523D+01 -0.253700D+01
      3   0.203092D+01 -0.155683D+01  0.307175D-01 -0.253700D+01 -0.615007D+01
               136           137           138           139           140 
      1   0.891719D-01 -0.361854D+01 -0.765990D+00 -0.364397D+01  0.386568D+01
      2  -0.361854D+01  0.370642D+01 -0.103992D+01  0.386568D+01  0.468207D+00
      3  -0.765990D+00 -0.103992D+01 -0.206325D+00 -0.908397D+00 -0.105764D+01
               141           142           143           144           145 
      1  -0.908397D+00 -0.116034D+01 -0.693385D+00 -0.265914D+00  0.112233D+01
      2  -0.105764D+01 -0.693385D+00 -0.224072D+01  0.144160D+01  0.156179D+01
      3   0.170172D+01 -0.265914D+00  0.144160D+01  0.612440D+01 -0.703121D+00
               146           147           148           149           150 
      1   0.156179D+01 -0.703121D+00  0.169333D+01  0.226399D+01 -0.375955D+00
      2   0.205371D+01 -0.363431D+00  0.226399D+01  0.997478D+01 -0.177940D+01
      3  -0.363431D+00  0.251606D+00 -0.375955D+00 -0.177940D+01  0.139866D+01
               151           152           153           154           155 
      1  -0.111457D+01 -0.733454D+00  0.450983D+00 -0.280194D+00  0.767043D-01
      2  -0.733454D+00 -0.324876D+01  0.194948D+01  0.767043D-01  0.208021D+00
      3   0.450983D+00  0.194948D+01 -0.612742D+00  0.798819D+00 -0.103652D+00
               156           157           158           159           160 
      1   0.798819D+00  0.465655D-01  0.374696D+00  0.209424D-01  0.160420D+01
      2  -0.103652D+00  0.374696D+00  0.171501D+01  0.132550D+01  0.120795D+00
      3  -0.100601D+00  0.209424D-01  0.132550D+01  0.130260D+01  0.415018D+00
               161           162           163           164           165 
      1   0.120795D+00  0.415018D+00  0.425710D+00  0.395485D+00 -0.742597D+00
      2   0.219357D+01  0.261293D+01  0.395485D+00 -0.203116D+00  0.142331D+00
      3   0.261293D+01  0.742818D+01 -0.742597D+00  0.142331D+00  0.374946D+00
               166           167           168           169           170 
      1  -0.178102D+00 -0.547878D+00  0.769300D-02 -0.169580D+01 -0.262650D+00
      2  -0.547878D+00 -0.504210D+00 -0.784828D+00 -0.262650D+00 -0.140828D+01
      3   0.769300D-02 -0.784828D+00 -0.102367D+01 -0.666266D+00  0.245166D+00
               171           172           173           174           175 
      1  -0.666266D+00 -0.478389D+01  0.332202D+01 -0.116780D+00  0.342037D+01
      2   0.245166D+00  0.332202D+01 -0.370258D+01  0.444093D+00 -0.346185D+01
      3  -0.760286D+01 -0.116780D+00  0.444093D+00 -0.734329D+00  0.338347D+00
               176           177           178           179           180 
      1  -0.346185D+01  0.338347D+00  0.623663D+00 -0.487955D-01 -0.737365D+00
      2   0.558289D+01 -0.125053D+00 -0.487955D-01  0.667274D+00  0.704529D+00
      3  -0.125053D+00  0.623493D+00 -0.737365D+00  0.704529D+00 -0.474418D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.144885D+01  0.466653D+00  0.578749D+00 -0.888600D+00 -0.312336D+00
      2  -0.533549D+01 -0.122691D+01 -0.572560D+01  0.104841D+01 -0.230322D+01
      3   0.519984D+01 -0.835074D+01 -0.312717D+01 -0.379958D+01 -0.244300D+01
                 6             7             8             9            10 
      1  -0.373556D+01  0.120786D+01  0.487936D+01 -0.308621D+01  0.432285D+01
      2   0.170709D+01 -0.118772D+02 -0.329755D+01  0.854047D+01 -0.146144D+02
      3   0.474027D+01 -0.417102D+01  0.161480D+01 -0.863001D-01 -0.464513D+01
                11            12            13            14            15 
      1   0.379492D+01 -0.230568D+01  0.399339D+01 -0.154733D+01  0.710785D+01
      2  -0.661754D+01  0.270057D+01 -0.452019D+01  0.662531D+01 -0.191229D+01
      3  -0.625203D+01  0.230462D+01  0.356932D+00  0.164924D+01 -0.821391D+01
                16            17            18            19            20 
      1  -0.477518D+00  0.133676D+02  0.124881D+01 -0.390800D+01  0.196514D+01
      2  -0.115932D+02 -0.342910D+01  0.101790D+02 -0.416577D+01  0.622327D+01
      3  -0.212364D+01 -0.891380D+01  0.740772D+00  0.149932D+01  0.795381D+00
                21            22            23            24            25 
      1  -0.395569D+01  0.243243D+01  0.447822D+01 -0.762914D+01 -0.378761D+01
      2   0.279944D+01  0.715440D+01 -0.480635D+01  0.417164D+01 -0.861423D+01
      3  -0.199204D+01  0.628757D+01 -0.630292D+01  0.253601D+01 -0.265353D+01
                26            27            28            29            30 
      1  -0.262504D+01 -0.627209D+01  0.291398D+01 -0.971740D+00  0.167109D+00
      2   0.481577D+01 -0.134035D+00  0.833891D+01 -0.798954D+01  0.924665D+00
      3   0.313291D+01  0.117902D+01  0.422543D+01 -0.686265D+01  0.658033D+01
                31            32            33            34            35 
      1  -0.173616D+01  0.946144D+00 -0.144976D+01  0.146149D+01  0.582277D+01
      2  -0.120966D+02 -0.104938D+01  0.175574D+01 -0.171407D+01 -0.113136D+01
      3  -0.122695D+00 -0.437349D+01  0.232506D+01  0.886036D+01  0.207246D+01
                36            37            38            39            40 
      1   0.698778D+00 -0.341343D+01 -0.164794D+01  0.426720D+01  0.128991D+01
      2   0.280059D+01  0.128612D+01  0.375204D+01  0.496731D+01  0.322850D+01
      3  -0.271070D+01 -0.107142D+01 -0.318942D+01 -0.134467D+00  0.723845D+01
                41            42            43            44            45 
      1  -0.628970D-01 -0.101607D+02  0.166964D+01 -0.227743D+01 -0.444990D+01
      2  -0.683399D+01 -0.489614D+01  0.332856D+01 -0.199983D+01 -0.824513D+01
      3   0.123301D+02  0.294242D+01  0.460499D+01  0.575130D+01  0.209231D+01
                46            47            48            49            50 
      1   0.120487D+01  0.289205D+00 -0.112242D+01  0.406252D+00 -0.744627D+00
      2  -0.240315D+01 -0.926577D+00  0.401891D+01  0.181928D-01 -0.644303D+00
      3  -0.709261D-01 -0.136872D+01 -0.546872D+00  0.164739D+01  0.971294D+00
                51            52            53            54            55 
      1  -0.888511D+00 -0.254674D+01  0.163132D+01  0.538145D+01 -0.293127D+01
      2   0.201085D+00  0.407888D+01  0.331971D+01 -0.149230D+02  0.878149D+01
      3   0.987699D+00 -0.751664D+00  0.444548D+01 -0.342208D+00  0.537418D+01
                56            57            58            59            60 
      1  -0.777785D+00 -0.154177D+01  0.273948D+00  0.729124D+00 -0.101059D+01
      2   0.227784D+01  0.604977D+01  0.247518D+00  0.845151D+00  0.523213D+00
      3  -0.322711D+01  0.130415D+01  0.372451D+00 -0.125612D+01 -0.170804D+01
                61            62            63            64            65 
      1  -0.242853D+01 -0.256196D-01 -0.115750D+01  0.129358D+01  0.120672D+01
      2   0.575886D+01  0.288980D+01  0.390874D+01  0.180681D+00 -0.128664D+01
      3   0.314369D+01 -0.308284D+01  0.724552D+00 -0.266415D-01 -0.224087D+01
                66            67            68            69            70 
      1   0.288231D+01 -0.442206D+00  0.345398D+01  0.325231D+01  0.184622D+01
      2  -0.231558D+01 -0.164537D+01 -0.153343D+00 -0.111437D+01 -0.348718D+01
      3  -0.144158D+01 -0.145525D+00  0.119097D+00 -0.620818D+00 -0.107764D+01
                71            72            73            74            75 
      1   0.503199D+01  0.882687D+01 -0.124725D+01 -0.190942D+01 -0.208249D+00
      2  -0.609942D+00 -0.355631D+01  0.903621D+00  0.120931D+01  0.129386D+01
      3  -0.666549D+00 -0.204484D+01  0.118004D+01 -0.435028D+00  0.765894D+00
                76            77            78            79            80 
      1  -0.156880D+01 -0.744293D+01 -0.167214D+01  0.738138D+00  0.113166D+01
      2   0.300110D+01  0.131144D+01 -0.241274D-01 -0.121060D+01 -0.207483D+00
      3   0.539344D+01  0.633380D+00 -0.214070D+00  0.311694D+00  0.275413D+00
                81            82            83            84            85 
      1  -0.646388D-01  0.544826D-01 -0.142252D+01 -0.892991D-01 -0.165606D+00
      2  -0.290038D-01 -0.223133D+00  0.114913D+01  0.355241D+01  0.160403D+00
      3   0.125247D+00  0.164686D+00 -0.294029D+01 -0.175037D+01 -0.761895D-02
                86            87            88            89            90 
      1   0.110345D+01 -0.688355D+00  0.138891D+00  0.245796D+01 -0.362216D+00
      2  -0.311603D+00 -0.834315D+00 -0.221578D+01 -0.322078D+00 -0.591617D+01
      3   0.330449D+01  0.188620D+01 -0.195339D+01  0.314988D+01  0.205944D+01
                91            92            93            94            95 
      1   0.167884D+01 -0.572009D+01  0.164006D+01 -0.766147D+01 -0.396014D+01
      2  -0.154024D+01  0.105407D+02  0.754430D+01  0.119329D+02  0.463561D+01
      3  -0.877490D+01  0.369239D+01 -0.118817D+02  0.117066D+02  0.482718D+01
                96            97            98            99           100 
      1   0.187402D-01  0.281689D+01  0.443475D+01  0.152233D+01 -0.772942D+00
      2  -0.595375D+01  0.577285D+00 -0.654476D+01 -0.736069D+01  0.524412D+01
      3   0.104738D+01 -0.126016D+02 -0.669469D+00  0.460837D+01 -0.298334D+01
               101           102           103           104           105 
      1  -0.564732D+00  0.175395D+01  0.486144D+00  0.472755D+00 -0.210533D+01
      2  -0.286657D+01 -0.532024D+01 -0.274365D+01  0.337568D+01  0.468345D+01
      3   0.187552D+01  0.377978D+01  0.219969D+01 -0.424404D+01 -0.386801D+01
               106           107           108           109           110 
      1   0.624501D+00  0.125687D+01 -0.425290D+01 -0.339496D+01  0.283803D+01
      2  -0.554304D+01  0.506904D+01  0.125981D+02  0.176253D+01 -0.124286D+01
      3   0.383956D+01 -0.427753D+01 -0.588479D+01  0.902835D+01 -0.825344D+01
               111           112           113           114           115 
      1  -0.149478D+01  0.220067D+01 -0.222537D+01  0.214862D+00 -0.225290D+01
      2   0.506146D+01 -0.231744D+01  0.779118D+00 -0.308707D+01  0.150614D+01
      3   0.439643D+01 -0.575499D+01  0.702948D+01 -0.250839D+01  0.451044D+01
               116           117           118           119           120 
      1   0.202780D+01 -0.149571D+01  0.178329D+01  0.238709D+01 -0.197159D+01
      2  -0.658325D+00  0.467658D+01 -0.226922D+01 -0.334919D+01  0.301470D+01
      3  -0.295209D+01  0.253916D+01 -0.174616D+01 -0.554784D+01  0.194069D+01
               121           122           123           124           125 
      1   0.277287D+01  0.426232D+01 -0.491291D+01 -0.143534D+01 -0.183999D+01
      2  -0.326962D+01 -0.475803D+01  0.544504D+01  0.977703D+00  0.423094D+01
      3  -0.310697D+01 -0.125569D+02  0.294450D+01  0.167639D+01  0.547565D+01
               126           127           128           129           130 
      1   0.330290D+01 -0.240663D+01 -0.292134D+01 -0.111051D+00 -0.262756D+01
      2  -0.463400D+01  0.151821D+01  0.243181D+01  0.193677D+01  0.696370D+00
      3  -0.338169D+01  0.435721D+01  0.648024D+01  0.311571D+01  0.120958D+02
               131           132           133           134           135 
      1  -0.765905D+01  0.214818D+01  0.961133D+00  0.100209D+02  0.128153D+02
      2   0.238627D+01 -0.594469D+00 -0.408340D+01 -0.160573D+01 -0.366898D+01
      3  -0.518142D+01 -0.504236D+00  0.275537D+01 -0.105817D+01  0.917772D+00
               136           137           138           139           140 
      1   0.361363D+01  0.196572D-01  0.109552D+01 -0.796662D+00  0.423463D+01
      2   0.169894D+01 -0.199611D+01  0.208985D+01 -0.146802D+01  0.368038D+01
      3  -0.819474D+01 -0.628920D+01 -0.338643D+01  0.105546D+00  0.845442D+01
               141           142           143           144           145 
      1  -0.501007D+01  0.727905D+00  0.118187D+01 -0.104662D+02  0.181628D+01
      2  -0.218886D+01 -0.288284D+01 -0.267593D+01 -0.493451D+01 -0.249324D+00
      3  -0.216792D+01 -0.331150D+01 -0.356170D+01  0.176218D+01  0.183668D+01
               146           147           148           149           150 
      1   0.157744D+01 -0.130840D+01  0.135032D+01  0.586071D+01 -0.599870D+01
      2  -0.951238D+00  0.109894D+01  0.943278D-02 -0.198483D+01  0.154974D+01
      3   0.205437D+00 -0.130182D+01  0.513831D+01 -0.243788D+01  0.322275D+00
               151           152           153           154           155 
      1  -0.103414D+01 -0.392570D+01  0.204129D+01 -0.184539D+01  0.144803D+00
      2  -0.917504D+00  0.141015D+01 -0.446029D+00  0.543259D+00 -0.607681D-01
      3  -0.330730D+01  0.102207D+01 -0.255240D+00 -0.110124D+01 -0.138017D+01
               156           157           158           159           160 
      1   0.498158D+00  0.137328D+00 -0.185805D+01 -0.295529D+01 -0.508579D+00
      2   0.772589D+00 -0.385296D+00  0.687272D+00  0.859709D+00 -0.291353D+01
      3   0.172760D+01  0.264558D+00  0.486905D-01 -0.746200D+00  0.423430D+01
               161           162           163           164           165 
      1  -0.143600D+01 -0.159234D+02  0.122467D+01 -0.366861D-01 -0.836574D+00
      2   0.142815D+01  0.489835D+01  0.130115D+01  0.131025D+00  0.170178D+00
      3  -0.116725D+01 -0.580328D+00  0.115130D+01 -0.256565D+00 -0.120509D+01
               166           167           168           169           170 
      1   0.726176D+00  0.207814D+01  0.108350D+01  0.994236D+00  0.368966D+01
      2  -0.702376D+00 -0.112708D+00  0.124215D+01 -0.392871D+01 -0.266668D+00
      3   0.351145D+00 -0.167144D+01 -0.662382D+00 -0.308805D+01 -0.156969D+01
               171           172           173           174           175 
      1   0.114862D+02 -0.143546D+01  0.128259D+01  0.206244D+01  0.745960D+00
      2   0.702369D+01 -0.168663D+01  0.118970D+01  0.253095D+01  0.165138D+01
      3  -0.777608D+00 -0.547095D+01 -0.891570D+00  0.462284D+00  0.476306D+01
               176           177           178           179           180 
      1  -0.219765D+01 -0.277368D+01  0.135285D+01 -0.368039D+00  0.596837D+00
      2  -0.136847D+01 -0.153349D+01 -0.229698D+00 -0.481903D+00  0.150863D+00
      3   0.116701D+01  0.553705D+00  0.110250D+01  0.979134D+00 -0.685119D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.207246D+02 -0.136858D+02 -0.913906D+01 -0.187966D+01  0.205668D+01
      2   0.131402D+02  0.130870D+02  0.226994D+01  0.446243D+01  0.545826D+01
      3   0.758436D+01  0.598886D+00  0.686913D+01 -0.258277D+01 -0.751495D+01
      4  -0.129570D+02 -0.710626D+01 -0.562743D+01  0.432251D+01  0.672389D+01
      5  -0.109828D+02 -0.256223D+01 -0.114554D+02 -0.271251D+00 -0.292973D+01
      6  -0.313622D+01  0.105321D+00 -0.140017D+01 -0.342302D+00 -0.113636D+01
                 6             7             8             9            10 
      1  -0.130868D+01 -0.120512D+02 -0.425727D+01 -0.986009D+01 -0.151730D+00
      2   0.230492D+00  0.188599D+01 -0.206562D+01  0.158202D+02 -0.790716D+01
      3   0.107819D+01  0.101652D+02  0.632289D+01 -0.596010D+01  0.805889D+01
      4  -0.456140D+01 -0.868417D+01 -0.346804D+01 -0.807544D+01  0.129521D+02
      5  -0.197606D+00 -0.156076D+02 -0.483426D+01  0.159603D+02  0.568256D+01
      6   0.140537D+01 -0.518843D+01 -0.790909D+00  0.972326D+01 -0.143911D+01
                11            12            13            14            15 
      1  -0.181445D+01 -0.417699D+01  0.442046D-01 -0.595954D+00  0.186894D+01
      2   0.100154D+02 -0.517985D+00  0.508086D+01 -0.139879D+02 -0.352787D+01
      3  -0.820098D+01  0.469497D+01 -0.512507D+01  0.145838D+02  0.165893D+01
      4  -0.159892D+02 -0.247315D+01 -0.251723D+02  0.201960D+02  0.947437D+01
      5  -0.153311D+01 -0.370435D+00 -0.574820D+01  0.554031D+01  0.468749D+01
      6   0.603061D+01  0.104026D+01  0.273860D+01 -0.123713D+02 -0.101964D+02
                16            17            18            19            20 
      1   0.501161D+01  0.861448D+00  0.358581D+01 -0.465487D+01  0.563505D+01
      2   0.412419D+00 -0.953837D+01 -0.870568D+01  0.244023D+01 -0.490111D+01
      3  -0.542403D+01  0.867692D+01  0.511986D+01  0.221464D+01 -0.733943D+00
      4  -0.100382D+02  0.164974D+02  0.581509D+01 -0.623193D+01  0.564689D+01
      5   0.377812D+01  0.160753D+01  0.783275D+01 -0.540538D+01  0.159272D+01
      6   0.855336D+00 -0.330407D+01 -0.488885D+01 -0.305618D+01  0.245216D+01
                21            22            23            24            25 
      1   0.453514D+01  0.894390D+01  0.129128D+02  0.469333D+01 -0.315710D+00
      2   0.546288D+01 -0.791570D+01 -0.175857D+02  0.929667D+01  0.340463D+01
      3  -0.999802D+01 -0.102820D+01  0.467289D+01 -0.139900D+02 -0.308892D+01
      4   0.506164D+00  0.553094D+01 -0.639159D+01  0.693377D+00  0.213604D+01
      5   0.297618D+01  0.300178D+01  0.251518D+01 -0.284153D+01  0.262940D+01
      6   0.984011D+00  0.337020D+01  0.121365D+02  0.914474D-01 -0.453697D+00
                26            27            28            29            30 
      1   0.471131D+01  0.110613D+02 -0.377711D+00 -0.553991D+01  0.433141D+01
      2   0.629034D+01  0.936959D+01  0.226427D+01 -0.342772D+00 -0.441852D+01
      3  -0.110017D+02 -0.204309D+02 -0.188656D+01  0.588268D+01  0.871173D-01
      4  -0.966936D+00 -0.314050D+01 -0.715325D+00 -0.213096D+01 -0.888326D+01
      5  -0.224884D+01 -0.868812D+01  0.754020D+01 -0.999857D+01 -0.148153D+02
      6   0.253096D+01  0.108518D+01 -0.425652D+01 -0.312857D+01  0.137312D+01
                31            32            33            34            35 
      1  -0.764928D+01  0.350544D+01 -0.111699D+02  0.225039D+00 -0.109800D+02
      2   0.173074D+01 -0.123213D+01  0.534134D+01 -0.467032D+01  0.609124D+01
      3   0.591854D+01 -0.227330D+01  0.582851D+01  0.444528D+01  0.488873D+01
      4  -0.576140D+01  0.602655D+01 -0.141059D+01 -0.890172D+01 -0.495440D+01
      5  -0.146614D+02 -0.231621D+01  0.525246D+01 -0.134628D+02  0.453588D+01
      6  -0.168264D+01 -0.156865D+01 -0.430262D+01  0.147619D+01 -0.216235D+01
                36            37            38            39            40 
      1  -0.107476D+02  0.202755D+02 -0.655065D+01 -0.268770D+01 -0.549083D+01
      2   0.745538D+01 -0.529330D+00 -0.759092D+01  0.159062D+01 -0.961368D+01
      3   0.329218D+01 -0.197462D+02  0.141416D+02  0.109709D+01  0.151045D+02
      4   0.358879D+01 -0.295163D+02  0.307674D+02  0.622298D+01  0.350809D+02
      5   0.185561D+02 -0.613581D+01  0.354086D+01  0.924729D+01  0.566621D+01
      6  -0.624158D+01  0.559898D+01 -0.401107D+01 -0.599926D+01 -0.532979D+01
                41            42            43            44            45 
      1  -0.126550D+02 -0.525488D+01 -0.154375D+01 -0.547077D+01 -0.640390D+01
      2   0.383253D+02  0.674482D+01  0.151494D+00  0.866672D+01  0.287681D+01
      3  -0.256703D+02 -0.148994D+01  0.139225D+01 -0.319595D+01  0.352709D+01
      4  -0.468112D+02 -0.105624D+02  0.107082D+02 -0.137564D+02 -0.141998D+02
      5  -0.673709D+01 -0.996985D+01  0.111220D+02 -0.114623D+02 -0.122234D+02
      6   0.157837D+02  0.175464D+02 -0.749582D+01  0.188324D+02  0.132791D+02
                46            47            48            49            50 
      1   0.866007D+01  0.283437D+01 -0.449891D+01 -0.531189D-01 -0.182800D+01
      2  -0.821908D+01 -0.244445D+01  0.523014D+01  0.787646D+00  0.851997D-01
      3  -0.440989D+00 -0.389915D+00 -0.731228D+00 -0.734527D+00  0.174280D+01
      4   0.538211D+01  0.454598D+01 -0.284255D+01  0.362938D+01  0.135628D+01
      5  -0.779278D+01 -0.156540D+01  0.107525D+02  0.264211D+00 -0.379670D+01
      6  -0.305997D+01 -0.138020D+01  0.237297D+01 -0.216862D+01 -0.210115D+01
                51            52            53            54            55 
      1   0.162457D+01 -0.692091D+01  0.250671D+01 -0.297243D+00  0.475404D+02
      2  -0.195971D+01  0.104310D+02 -0.310216D+00 -0.182752D+02 -0.264402D+02
      3   0.335137D+00 -0.351005D+01 -0.219649D+01  0.185725D+02 -0.211002D+02
      4  -0.415518D+01 -0.417033D+01 -0.643304D+01  0.736822D+01  0.209049D+02
      5   0.796647D+00  0.165325D+02  0.471309D+01 -0.281408D+02  0.150787D+02
      6   0.588443D+01  0.514782D+01  0.592258D+01 -0.122923D+02  0.327336D+01
                56            57            58            59            60 
      1   0.964544D+01  0.115519D+02  0.103817D+01  0.346471D+01  0.101198D+01
      2  -0.446838D+01 -0.697111D+01  0.133907D+01  0.242184D+00  0.393437D+00
      3  -0.517706D+01 -0.458077D+01 -0.237724D+01 -0.370689D+01 -0.140542D+01
      4   0.133556D+02  0.494051D+01  0.957577D+01  0.555631D+01  0.376409D+01
      5   0.284321D+01  0.113724D+02  0.141662D+01  0.403451D+01  0.138999D+01
      6   0.122331D+01  0.303827D+01  0.136762D+01  0.101088D+01  0.235259D+01
                61            62            63            64            65 
      1   0.180982D+02  0.334322D+01  0.883119D+01  0.104535D+01 -0.790054D+00
      2  -0.114894D+02 -0.202077D+00 -0.827736D+01 -0.509054D+01  0.380629D+00
      3  -0.660885D+01 -0.314115D+01 -0.553831D+00  0.404519D+01  0.409425D+00
      4   0.855503D+01  0.707064D+01  0.664665D+01  0.129313D+00  0.103185D+01
      5   0.146889D+02  0.516891D+01  0.949330D+01  0.449878D+01  0.764402D+00
      6   0.423885D+01  0.309627D+01  0.187425D+01  0.300838D+00  0.107296D+01
                66            67            68            69            70 
      1  -0.454091D+01 -0.812877D+00 -0.410227D+01 -0.474617D+01 -0.193448D+01
      2  -0.456845D+01  0.870796D+00 -0.901881D+00 -0.576469D+01 -0.249535D+01
      3   0.910936D+01 -0.579189D-01  0.500415D+01  0.105109D+02  0.442982D+01
      4  -0.564397D+00 -0.927206D+00  0.164107D+01  0.107936D+01 -0.179785D+01
      5   0.792609D+01  0.147887D+01  0.105152D+01  0.172977D+01  0.607007D+01
      6  -0.235481D+01  0.604581D+00  0.966828D+00  0.343296D+01 -0.681879D+00
                71            72            73            74            75 
      1  -0.154501D+01 -0.230738D+02  0.299928D+00 -0.135064D+01  0.681292D+00
      2  -0.374561D+01 -0.192926D+02  0.266033D+01  0.239469D+01 -0.402171D+00
      3   0.529062D+01  0.423664D+02 -0.296026D+01 -0.104405D+01 -0.279121D+00
      4   0.869072D+00  0.102292D+01  0.429859D+01  0.773702D+01 -0.190202D+01
      5   0.803479D+00  0.725988D+01 -0.218304D+01 -0.326678D+01  0.305687D+01
      6   0.470549D+01 -0.645440D+01 -0.255674D+01 -0.318220D+01  0.220508D+01
                76            77            78            79            80 
      1  -0.209725D+01 -0.208089D+02  0.773168D+01 -0.426536D+00  0.291056D+01
      2   0.414358D+01  0.305087D+02 -0.620040D+01  0.654113D-01 -0.100234D+01
      3  -0.204633D+01 -0.969985D+01 -0.153127D+01  0.361125D+00 -0.190822D+01
      4   0.762177D+01  0.804932D+01 -0.207470D+01 -0.918194D+00 -0.105562D+01
      5  -0.246237D+01 -0.263501D+01  0.180545D+01  0.168818D+01  0.208059D+01
      6  -0.338827D+01 -0.197602D+02  0.114350D+02  0.162289D+01  0.807799D+01
                81            82            83            84            85 
      1  -0.553419D+01  0.143835D+02 -0.897180D+00 -0.756625D+01 -0.175998D+01
      2   0.172980D+01 -0.124239D+02  0.150260D+01  0.943289D+01  0.238655D+01
      3   0.380439D+01 -0.195958D+01 -0.605425D+00 -0.186664D+01 -0.626572D+00
      4   0.181413D+01 -0.373661D+01  0.606610D+01  0.497991D+01  0.607074D+01
      5  -0.680826D+00 -0.165748D+02  0.519153D+01  0.178018D+02  0.572745D+01
      6  -0.513990D+01  0.365106D+01 -0.154856D+01 -0.247330D+01 -0.307179D+01
                86            87            88            89            90 
      1  -0.584416D+00  0.120168D+01 -0.738172D+01  0.468795D+00  0.139914D+01
      2  -0.123539D+00 -0.253378D+01  0.107133D+02 -0.205882D+01 -0.156678D+02
      3   0.707955D+00  0.133210D+01 -0.333156D+01  0.159002D+01  0.142686D+02
      4  -0.501372D+01 -0.532409D+01  0.398408D+01 -0.474422D+01 -0.665607D+01
      5  -0.622217D+01 -0.678231D+01  0.183579D+02 -0.578935D+01 -0.272799D+02
      6   0.353160D+01  0.718007D+01 -0.389462D+01  0.527274D+01  0.617813D+01
                91            92            93            94            95 
      1  -0.147988D+02  0.905974D+01 -0.155405D+02  0.152936D+02 -0.907525D+01
      2   0.101618D+02 -0.118778D+02  0.948889D+01 -0.169728D+02 -0.859224D+00
      3   0.463701D+01  0.281804D+01  0.605156D+01  0.167919D+01  0.993447D+01
      4   0.832062D+01 -0.880116D+01  0.158942D+02 -0.112199D+02 -0.145419D+02
      5  -0.826715D+01  0.192906D+02  0.284757D+01  0.241505D+02  0.719714D+01
      6   0.501588D+01  0.681986D+01  0.731177D+01  0.700026D+01  0.539171D+01
                96            97            98            99           100 
      1   0.228101D+02 -0.121752D+02  0.215478D+02  0.104910D+02 -0.576614D+01
      2  -0.728898D+01  0.109270D+02 -0.524809D+01 -0.454749D+01  0.167431D+01
      3  -0.155212D+02  0.124819D+01 -0.162997D+02 -0.594350D+01  0.409183D+01
      4   0.108037D+02  0.201947D+02  0.133247D+02 -0.243373D+01 -0.370869D+01
      5  -0.179727D+01  0.938652D+00 -0.301109D+01 -0.614398D+01 -0.241460D+00
      6  -0.383588D+01  0.661291D+01 -0.445419D+01 -0.429678D+01  0.226977D+01
               101           102           103           104           105 
      1   0.328387D+01  0.963699D+01  0.278550D+01 -0.627536D+01 -0.902650D+01
      2  -0.208247D+01 -0.193446D+01 -0.649659D+00  0.556122D+01  0.371947D+01
      3  -0.120140D+01 -0.770253D+01 -0.213584D+01  0.714137D+00  0.530703D+01
      4  -0.951660D+00 -0.164958D+01  0.340570D+01  0.596823D+01  0.251193D+01
      5  -0.313220D+01 -0.354050D+01 -0.163140D+01  0.308997D+01  0.523134D+01
      6  -0.450719D+01 -0.577358D+01 -0.206202D+01  0.655525D+01  0.903989D+01
               106           107           108           109           110 
      1   0.104367D+02 -0.915552D+01 -0.165986D+02  0.487649D+02 -0.115397D+02
      2  -0.424383D+01  0.378816D+01 -0.132696D+01 -0.294444D+02  0.847548D+01
      3  -0.619285D+01  0.536736D+01  0.179256D+02 -0.193206D+02  0.306422D+01
      4   0.127208D+01  0.433662D+01  0.409505D+01 -0.626062D+01  0.112522D+02
      5   0.269036D+01  0.582055D+01  0.148811D+02  0.203072D+02 -0.630927D+01
      6  -0.240886D+01  0.965390D+01  0.147284D+02 -0.987734D+00  0.179919D+01
               111           112           113           114           115 
      1   0.136615D+02 -0.229653D+02  0.963575D+01 -0.759644D+01  0.146513D+02
      2  -0.112280D+02  0.149220D+02 -0.498180D+01  0.593687D+01 -0.118848D+02
      3  -0.243346D+01  0.804332D+01 -0.465396D+01  0.165957D+01 -0.276651D+01
      4  -0.322362D+01  0.104276D+02 -0.100480D+02  0.288789D+01 -0.349982D+01
      5   0.139694D+02 -0.117203D+02  0.479851D+01 -0.821544D+01  0.150762D+02
      6  -0.454099D+00  0.189667D+01 -0.360375D+01  0.223304D+01 -0.846361D+00
               116           117           118           119           120 
      1  -0.501261D+01  0.750363D+01  0.167586D+02  0.861178D+01 -0.276952D+01
      2   0.387932D+01 -0.851217D+01 -0.454531D+01  0.168291D+01 -0.256204D+00
      3   0.113329D+01  0.100854D+01 -0.122133D+02 -0.102947D+02  0.302572D+01
      4   0.251930D+01 -0.225070D+01  0.160216D+02  0.177850D+02 -0.657129D+01
      5  -0.426683D+01  0.123489D+02 -0.363127D+01 -0.552838D+01  0.583639D+01
      6   0.295689D+01  0.343362D+00 -0.238760D+01 -0.147538D+01  0.173682D+01
               121           122           123           124           125 
      1   0.110741D+02  0.478817D+01 -0.326851D+01 -0.829143D+01 -0.427423D+01
      2   0.258918D+01  0.143333D+02 -0.295914D+01  0.148119D+01 -0.376339D+01
      3  -0.136632D+02 -0.191214D+02  0.622764D+01  0.681024D+01  0.803762D+01
      4   0.231578D+02  0.332288D+02 -0.887069D+01 -0.120158D+02 -0.146002D+02
      5  -0.558211D+01 -0.765468D+01  0.838588D+01  0.671326D+01  0.847625D+01
      6  -0.222520D+01 -0.396782D+01  0.663179D+01  0.271925D+01  0.651601D+01
               126           127           128           129           130 
      1   0.559767D+00 -0.242262D+01  0.892016D+01 -0.129806D+00  0.113131D+02
      2   0.122040D+01  0.577456D+01 -0.136064D+02  0.277546D+01 -0.159467D+02
      3  -0.178017D+01 -0.335193D+01  0.468626D+01 -0.264566D+01  0.463359D+01
      4   0.854393D+01  0.355346D+01  0.958251D+00  0.508157D+01  0.157539D+01
      5  -0.930258D+01  0.214123D+01  0.139167D+01 -0.234427D+00 -0.718727D+00
      6  -0.574194D+01  0.607724D+01  0.330884D+01  0.537625D-02  0.420423D+01
               131           132           133           134           135 
      1   0.140053D+02 -0.461373D+01 -0.357231D+00 -0.372707D+01  0.142035D+02
      2  -0.266718D+02  0.111315D+02  0.344369D+01  0.156654D+02 -0.905869D+01
      3   0.126665D+02 -0.651773D+01 -0.308646D+01 -0.119384D+02 -0.514477D+01
      4  -0.159433D+02  0.537131D+01  0.465737D+01  0.650026D+01 -0.255787D+01
      5   0.393462D+01 -0.839648D+00  0.712916D+00 -0.278543D+01 -0.589632D+01
      6   0.133256D+02 -0.723480D+01 -0.844715D+00 -0.122931D+02 -0.246185D+02
               136           137           138           139           140 
      1   0.287935D+01 -0.360369D+00  0.136882D+01 -0.278549D+01 -0.796544D+01
      2  -0.119655D+02  0.109502D+02 -0.273160D+01  0.129809D+02 -0.597898D+00
      3   0.908620D+01 -0.105899D+02  0.136278D+01 -0.101954D+02  0.856334D+01
      4   0.103304D+02 -0.196040D+02 -0.885093D+00 -0.178169D+02  0.128699D+02
      5   0.164612D+01  0.264012D+01  0.205303D+01  0.350665D+01 -0.438137D+00
      6  -0.305394D+01 -0.247338D+01 -0.144088D+01 -0.248814D+01 -0.377707D+01
               141           142           143           144           145 
      1   0.526895D+01  0.135095D+01  0.389260D+01  0.742096D+01 -0.931955D+00
      2  -0.152176D+01 -0.449915D+00 -0.501279D+01  0.106613D+02  0.666479D+01
      3  -0.374719D+01 -0.901032D+00  0.112019D+01 -0.180823D+02 -0.573284D+01
      4  -0.965254D+00 -0.693123D+00  0.272109D+01  0.520820D-01  0.803774D+01
      5  -0.236283D+01  0.251983D+01 -0.134035D+01 -0.863954D+01 -0.161657D+01
      6   0.506097D+01 -0.203974D-01  0.393241D+01  0.149895D+02 -0.397478D+01
               146           147           148           149           150 
      1  -0.327049D+01  0.544498D-01 -0.446803D+01 -0.314258D+02  0.568964D+01
      2   0.996341D+01 -0.130786D+01  0.115552D+02  0.588715D+02 -0.102327D+02
      3  -0.669292D+01  0.125341D+01 -0.708713D+01 -0.274457D+02  0.454308D+01
      4   0.133315D+02 -0.343654D+01  0.122558D+02  0.226348D+02 -0.399731D+01
      5  -0.179044D+01  0.248738D+01 -0.160163D+01 -0.282088D+01  0.270808D+01
      6  -0.248537D+01  0.205320D+01 -0.268010D+01 -0.135714D+02  0.104461D+02
               151           152           153           154           155 
      1   0.992256D+00  0.102671D+02 -0.719919D+01  0.321136D+00 -0.629939D-01
      2  -0.305993D+01 -0.172675D+02  0.796416D+01 -0.230059D+01  0.732009D+00
      3   0.206767D+01  0.700039D+01 -0.764971D+00  0.197945D+01 -0.669015D+00
      4  -0.536209D+01 -0.716422D+01  0.412132D+01 -0.629199D+00  0.292601D+01
      5   0.248619D+01  0.352582D+01 -0.170669D+01  0.980741D+00  0.149643D+01
      6   0.298782D+01  0.134950D+02 -0.590211D+01  0.358395D+01 -0.820879D+00
               156           157           158           159           160 
      1   0.145387D+01 -0.132488D+01 -0.726417D+01 -0.534927D+01  0.132019D+01
      2  -0.132547D+01  0.200435D+01  0.844799D+01  0.407856D+01 -0.104846D+01
      3  -0.128396D+00 -0.679463D+00 -0.118381D+01  0.127070D+01 -0.271726D+00
      4   0.359830D+01  0.198714D+01  0.277716D+01  0.112375D+01  0.539981D+01
      5   0.548625D+01  0.842649D+00  0.115822D+01  0.116088D+01  0.433029D+01
      6  -0.684911D+00  0.128200D+00  0.666613D+01  0.985633D+01  0.197414D+01
               161           162           163           164           165 
      1  -0.982160D+01 -0.187943D+02 -0.140867D+01 -0.391201D+00  0.167064D+01
      2   0.735005D+01  0.618215D+00 -0.550367D+00 -0.969927D+00  0.125416D+00
      3   0.247155D+01  0.181761D+02  0.195904D+01  0.136113D+01 -0.179606D+01
      4   0.238516D+01  0.342410D+01 -0.727439D-01  0.365821D+01 -0.121332D+01
      5   0.314375D+01  0.837985D+01  0.782916D+00 -0.138589D+00  0.469846D+01
      6   0.163762D+02  0.327793D+02 -0.113289D+01  0.285255D+00  0.183754D+01
               166           167           168           169           170 
      1   0.106062D+01 -0.480035D+00 -0.376505D+00  0.201419D+01  0.367442D+01
      2  -0.258525D+01 -0.121608D+01 -0.367878D+01 -0.260544D+01 -0.391090D+01
      3   0.152463D+01  0.169611D+01  0.405529D+01  0.591259D+00  0.236480D+00
      4   0.292950D+01 -0.954890D+00  0.117721D+01 -0.283038D+01  0.258339D+01
      5   0.360911D+00  0.102154D+01  0.262954D+01  0.526728D+01 -0.614351D+00
      6   0.200959D+00 -0.968414D+00  0.254957D+01 -0.166624D+01  0.524454D+01
               171           172           173           174           175 
      1  -0.144312D+02  0.102470D+02 -0.155615D+01 -0.375154D+00 -0.356868D+00
      2  -0.146865D+02  0.466650D+01 -0.109905D+02  0.525028D+00 -0.109886D+02
      3   0.291177D+02 -0.149135D+02  0.125467D+02 -0.149875D+00  0.113455D+02
      4  -0.254097D+01 -0.259668D+02  0.243850D+02 -0.117048D+01  0.232810D+02
      5   0.116449D+02  0.231357D+01 -0.214561D+01  0.422958D+01 -0.201841D+01
      6  -0.178530D+02 -0.729393D+00  0.191531D+01 -0.337741D+01  0.206850D+01
               176           177           178           179           180 
      1  -0.655082D+01  0.289004D+00 -0.146291D+01 -0.460542D+00 -0.166623D+01
      2   0.248095D+02 -0.164042D+00  0.270675D+00  0.187383D+01  0.108445D+01
      3  -0.182586D+02 -0.124962D+00  0.119223D+01 -0.141328D+01  0.581775D+00
      4  -0.271881D+02  0.117561D+01  0.200435D+01 -0.166463D+01 -0.463726D+01
      5   0.120909D+01 -0.277106D+01  0.342240D+01 -0.338748D+01  0.486045D+00
      6  -0.176116D+01  0.474887D+01 -0.399861D+01  0.525531D+01 -0.770165D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130127D+01      0.330751D+01      0.110327D+02
   x         -0.635029D+00     -0.161408D+01     -0.538400D+01
   y          0.103621D+01      0.263379D+01      0.878537D+01
   z          0.465101D+00      0.118217D+01      0.394329D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.815558D+02      0.120853D+02      0.134467D+02
   aniso      0.149854D+02      0.222061D+01      0.247076D+01
   xx         0.871451D+02      0.129136D+02      0.143683D+02
   yx         0.737019D+00      0.109215D+00      0.121518D+00
   yy         0.856738D+02      0.126956D+02      0.141257D+02
   zx        -0.169420D+01     -0.251055D+00     -0.279336D+00
   zy         0.474104D+00      0.702549D-01      0.781691D-01
   zz         0.718484D+02      0.106468D+02      0.118462D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.843811D+02      0.125040D+02      0.139126D+02
   aniso      0.155134D+02      0.229886D+01      0.255782D+01
   xx         0.899541D+02      0.133298D+02      0.148314D+02
   yx         0.135576D+00      0.200903D-01      0.223535D-01
   yy         0.888640D+02      0.131683D+02      0.146517D+02
   zx        -0.185906D+01     -0.275484D+00     -0.306517D+00
   zy         0.780941D+00      0.115724D+00      0.128760D+00
   zz         0.743252D+02      0.110139D+02      0.122546D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.68190103          1.88501620         -0.55401912
     6          1.37098683         -0.18686918         -2.05747469
     6          0.25122016         -2.28063798         -0.47487676
     6         -1.63922935         -1.27838855          1.53051943
     8          1.25092154         -0.13710179         -4.33914099
     1          2.18241002          3.68354961         -1.43514127
     1          4.71897195          1.65056613         -0.82270585
     1          1.83495988         -3.19691212          0.49271277
     1         -0.62332898         -3.67573582         -1.70938844
     1         -1.56407535         -2.58405779          3.13002879
     6         -4.33594566         -1.27066845          0.50429118
     1         -4.46874226         -0.09896820         -1.19123260
     1         -5.65351164         -0.51319252          1.90091934
     1         -4.95652611         -3.17401542          0.00748489
     6          1.95595982          1.85488962          2.24875860
     6         -0.87976723          1.37005223          2.49220987
     1          2.47142246          3.64706536          3.12965759
     1          3.00940734          0.38761082          3.25452885
     1         -1.87598856          2.80397015          1.37873022
     1         -1.51312664          1.60657425          4.44109295

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130127D+01      0.330751D+01      0.110327D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.130127D+01      0.330751D+01      0.110327D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.815558D+02      0.120853D+02      0.134467D+02
   aniso      0.149854D+02      0.222061D+01      0.247076D+01
   xx         0.824986D+02      0.122250D+02      0.136022D+02
   yx         0.699503D+01      0.103656D+01      0.115332D+01
   yy         0.776227D+02      0.115025D+02      0.127982D+02
   zx        -0.248562D+01     -0.368331D+00     -0.409823D+00
   zy         0.266368D+01      0.394716D+00      0.439181D+00
   zz         0.845461D+02      0.125284D+02      0.139398D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.843811D+02      0.125040D+02      0.139126D+02
   aniso      0.155134D+02      0.229886D+01      0.255782D+01
   xx         0.849288D+02      0.125852D+02      0.140029D+02
   yx         0.696378D+01      0.103193D+01      0.114817D+01
   yy         0.799605D+02      0.118489D+02      0.131837D+02
   zx        -0.262624D+01     -0.389169D+00     -0.433009D+00
   zy         0.272220D+01      0.403389D+00      0.448831D+00
   zz         0.882539D+02      0.130779D+02      0.145511D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-15\Freq\RwB97XD\Gen\C7H12O1\PIERPA\24-Jul-2021\0\\#P 
 wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.598849,0.7
 04366,-0.206529\C,1.101228,-0.711991,0.043642\C,-0.11325,-0.80514,0.93
 6088\C,-1.304166,0.036131,0.404859\O,1.645599,-1.67761,-0.439886\H,1.8
 80909,0.764552,-1.26005\H,2.521567,0.833636,0.367502\H,0.189114,-0.415
 856,1.914189\H,-0.387393,-1.851222,1.064625\H,-1.882232,0.353357,1.276
 987\C,-2.214659,-0.802663,-0.488897\H,-1.657245,-1.206857,-1.337618\H,
 -3.035477,-0.200152,-0.884181\H,-2.645488,-1.642727,0.058923\C,0.55373
 7,1.766949,0.148811\C,-0.819914,1.303231,-0.333141\H,0.822669,2.721592
 ,-0.306662\H,0.531382,1.936615,1.229376\H,-0.749828,1.08744,-1.405242\
 H,-1.563723,2.095209,-0.227759\\Version=ES64L-G16RevA.03\State=1-A\HF=
 -349.367165\RMSD=7.666e-09\RMSF=1.536e-05\ZeroPoint=0.1784592\Thermal=
 0.1864351\Dipole=-0.6350289,1.0362113,0.4651013\DipoleDeriv=0.0057445,
 -0.2483097,0.0532529,-0.1097841,-0.2434757,0.0309201,0.0533443,0.04860
 12,0.09034,0.7528807,-0.0644314,-0.3768202,-0.0863969,1.1321921,0.1256
 415,-0.5317329,0.1927253,0.3714063,-0.2755463,0.0596364,0.1674011,0.04
 34838,-0.0020079,0.0207323,0.2031047,-0.0112655,-0.0429236,0.2251289,-
 0.0162033,0.0117078,-0.0777222,0.1424478,0.0441847,0.0209163,0.0361444
 ,0.1115735,-0.6293384,0.2242663,0.1643593,0.2664534,-0.9713537,-0.1550
 285,0.2595729,-0.2224729,-0.4491817,0.0544423,0.0347296,0.0143212,0.01
 30141,0.007096,-0.0095707,0.0687191,0.0070669,-0.0810773,-0.0654671,0.
 0100845,-0.055293,0.0172341,0.0238179,-0.003855,-0.0954401,-0.0085496,
 0.0352784,-0.0142546,-0.0069356,-0.0558036,-0.0417343,0.0581329,-0.073
 7749,-0.0517065,-0.0514185,-0.0534669,0.0168561,-0.0335399,0.0205443,-
 0.0421181,-0.1061321,0.0551795,0.0114807,0.0044328,0.0599542,-0.071328
 1,0.0164608,0.0656765,0.0408393,-0.0166143,-0.0558462,0.0695268,-0.042
 3202,-0.1161034,0.0423076,-0.0250158,-0.0429847,-0.0144715,0.0528819,-
 0.0414586,-0.0231949,-0.0349476,0.0647738,-0.0094123,0.0352676,0.09919
 36,0.0024996,0.030151,-0.040162,0.0470492,-0.0571389,-0.0533742,-0.081
 0533,0.0610813,-0.0731856,0.1042621,-0.0114786,0.0474691,-0.0842917,0.
 0216291,0.0285784,0.0152728,-0.0658636,0.0102729,-0.1061241,-0.0862812
 ,0.055776,0.0438574,0.0938766,-0.0059473,0.0531235,0.0079537,-0.015911
 7,-0.0240916,0.0951018,-0.0229718,-0.00154,0.0293575,0.145734,0.050674
 4,-0.0458293,-0.034517,-0.0311623,0.0606029,0.0284976,-0.0207199,-0.00
 89794,0.1104641,0.0010647,-0.0531823,0.0171665,-0.0522861,-0.1528798,0
 .0487531,0.0245124,0.0926553,0.0339921,-0.0006948,0.015059,0.0108552,0
 .018461,0.049349,-0.0113682,-0.0065977,-0.0663455,-0.1590696,0.0245023
 ,-0.0140989,0.0224251,-0.0128659,0.0184294,-0.0636816,-0.001857,-0.014
 9755,-0.1460364,-0.0949032,0.1088708,-0.0026606,0.0925097,-0.0799795,0
 .0205634,0.0149968,-0.0080755,0.0550857\Polar=87.145129,0.7370194,85.6
 738361,-1.6942006,0.4741035,71.8484302\Quadrupole=-0.3020422,-1.856730
 7,2.1587729,3.9292301,1.0881826,-1.5484669\PG=C01 [X(C7H12O1)]\NImag=0
 \\0.52254627,0.00032050,0.43073134,0.00045075,0.00462770,0.56090998,-0
 .10466573,-0.03684451,0.01304579,0.49505025,-0.02691951,-0.13466563,0.
 02138341,-0.16458541,0.76875284,0.01201338,0.02310908,-0.09147521,-0.1
 9522777,0.15756152,0.40266955,-0.00166004,-0.00434013,0.01683939,-0.13
 603433,-0.02652347,0.03089399,0.42526429,-0.02167939,-0.00221843,0.017
 61687,-0.02932863,-0.09297862,0.02188156,0.06911828,0.59174095,0.01383
 682,0.00245044,0.01053619,0.03744497,0.01985592,-0.11635840,-0.0015935
 3,0.01978757,0.48740593,0.00337208,-0.00097520,0.00190806,-0.02691419,
 0.01656364,-0.00366733,-0.12077266,0.03016145,-0.02289242,0.48703576,0
 .00081320,-0.00008501,0.00116831,0.01036250,-0.00060519,-0.01305531,0.
 02334864,-0.09563636,0.01911342,-0.00732872,0.45222885,-0.00090339,0.0
 0101302,-0.00230071,0.00917594,-0.01474051,0.01662023,-0.00622186,0.01
 419470,-0.07752615,-0.05543222,0.04165703,0.53638303,0.02228879,0.0017
 4637,-0.00097208,-0.22122483,0.22347396,0.13107806,-0.01403041,0.03650
 220,0.03278585,-0.00013236,-0.00166197,0.00407184,0.21776200,0.0170121
 6,-0.05517994,-0.01966377,0.22404068,-0.50196736,-0.19960637,0.0197707
 9,0.00017810,-0.01754474,-0.00197226,0.00251694,-0.00109436,-0.2625271
 5,0.55908446,-0.00003387,-0.00894392,0.01378585,0.13100073,-0.19933044
 ,-0.18045265,0.03396659,-0.03047376,0.00153197,0.00127920,0.00340567,-
 0.00905465,-0.16576702,0.23722220,0.16510475,-0.05922875,-0.00168226,0
 .06359809,-0.00635438,-0.00495187,0.01350286,-0.00101076,-0.00248146,-
 0.00085884,0.00022940,-0.00023387,0.00016668,0.00033561,0.00306604,-0.
 00093946,0.06488483,-0.00140854,-0.04631725,0.01808516,-0.00790686,-0.
 00334116,0.03324689,-0.00224796,-0.00431089,-0.00154622,0.00001034,-0.
 00031827,0.00039471,-0.00008915,0.00210947,-0.00316010,0.00264172,0.05
 378235,0.06259898,0.01726238,-0.28954686,0.00295329,-0.00066721,-0.007
 61212,-0.00016386,0.00137179,0.00079561,-0.00016084,0.00000073,-0.0001
 1258,-0.00107603,-0.00061639,0.00245114,-0.06999357,-0.01698435,0.3135
 7997,-0.22379602,-0.02651809,-0.11741393,-0.01170066,-0.00339221,-0.00
 537104,0.00093127,-0.00138821,0.00062023,0.00052077,0.00072350,-0.0004
 9983,0.00124155,0.00128766,0.00084619,0.00700820,0.00118821,0.00365259
 ,0.24533325,-0.03176551,-0.04895414,-0.02086329,-0.02662232,-0.0042443
 8,-0.02001987,0.00130555,-0.00137175,0.00305046,0.00076504,-0.00047893
 ,-0.00021912,0.00307511,-0.00086308,0.00326716,0.00284323,0.00049509,0
 .00176251,0.02830603,0.05264303,-0.11494058,-0.01640974,-0.11430216,0.
 00581517,0.00106476,0.00234714,-0.00074782,0.00011334,-0.00147808,-0.0
 0034210,-0.00025288,0.00027860,0.00020167,-0.00103384,0.00085972,-0.02
 663613,-0.00467818,-0.01687939,0.12587087,0.02014757,0.12426357,-0.001
 53074,-0.00062419,-0.00310128,0.01014849,0.01211649,0.02593425,-0.0556
 4499,-0.02880622,-0.05232698,-0.01026563,-0.00792182,-0.02435722,-0.00
 659605,0.00035892,-0.00080599,0.00040785,0.00071037,-0.00036523,-0.000
 29182,-0.00073063,0.00037606,0.06934126,-0.00038345,-0.00009336,-0.000
 72459,0.00376588,-0.00117909,0.00048684,-0.03082036,-0.07948801,-0.080
 71997,0.00721134,0.00438647,0.01623483,0.00039878,0.00175865,-0.000081
 95,0.00019833,0.00013038,-0.00014186,0.00005189,-0.00024257,0.00011558
 ,0.02553996,0.08470434,0.00151753,0.00036963,0.00198267,-0.00701364,-0
 .01104326,-0.02073017,-0.05973298,-0.08048911,-0.24887539,-0.00272750,
 -0.00383090,-0.00920123,0.00446844,0.00101123,-0.00014783,-0.00019505,
 -0.00049213,0.00028278,0.00039106,0.00061051,-0.00022616,0.06407878,0.
 09107625,0.26965791,-0.00243491,0.00102711,0.00443809,-0.00840225,-0.0
 3029944,0.00187650,-0.06479787,-0.06427075,0.00756862,0.00641266,0.023
 12459,-0.00405230,0.00290085,0.00230939,-0.00256593,-0.00065306,-0.001
 27475,0.00035675,-0.00010731,-0.00010372,-0.00005581,-0.00245979,-0.00
 688906,0.00088490,0.07239363,0.00012033,0.00098843,0.00023360,-0.00010
 171,-0.00434989,-0.00032402,-0.06781969,-0.29401880,0.02833264,-0.0037
 5389,-0.01407794,0.00311964,0.00088320,0.00260800,-0.00023123,-0.00013
 018,-0.00011529,0.00002326,-0.00011082,-0.00001776,-0.00000671,-0.0028
 7422,-0.00958892,0.00095760,0.07186569,0.31690944,0.00325698,-0.000779
 47,-0.00108997,0.00722885,0.02327528,-0.00303800,0.00746939,0.02408580
 ,-0.05045916,0.00196582,0.01107054,-0.00324396,-0.00345932,-0.00118252
 ,0.00115827,0.00037641,0.00053223,-0.00011372,0.00038575,0.00049806,-0
 .00023408,-0.00792795,-0.02787006,0.00424303,-0.00712734,-0.03122378,0
 .05224100,0.00060771,-0.00004799,0.00036514,-0.00014053,0.00385690,-0.
 00454429,-0.02073569,0.00855402,0.01593607,-0.11755865,0.03743765,0.10
 796482,-0.00151771,0.00059362,0.00268405,0.00003509,-0.00016815,0.0000
 3404,0.00006591,0.00006577,-0.00002425,0.00116479,-0.00041864,0.000449
 34,-0.00035648,0.00043067,-0.00009280,0.13187523,0.00013809,0.00019327
 ,-0.00029367,-0.00017174,-0.00259136,0.00313131,0.01351437,-0.00468122
 ,-0.01192526,0.03809752,-0.06819428,-0.05996590,0.00093905,-0.00013409
 ,-0.00151058,0.00011014,0.00005561,-0.00009852,-0.00007100,0.00000861,
 -0.00003969,-0.00070475,0.00151009,0.00013738,-0.00004190,-0.00035479,
 0.00000253,-0.04206387,0.07973147,-0.00018025,-0.00009691,0.00013121,-
 0.00100702,0.00167938,-0.00094757,-0.00975240,0.00321159,0.00766906,0.
 10737813,-0.05957788,-0.20692967,-0.00077696,0.00047562,0.00128337,-0.
 00007429,-0.00001302,0.00002110,0.00003802,-0.00000605,0.00003249,-0.0
 0011185,0.00023682,0.00203086,0.00043866,0.00002350,-0.00001617,-0.111
 06463,0.06172023,0.22832965,0.00018679,-0.00016394,-0.00004638,0.00080
 037,-0.00101533,-0.00267551,-0.02194564,-0.01079735,-0.01885028,-0.111
 68730,-0.03140456,-0.03480532,0.00003386,0.00054737,0.00068559,-0.0000
 0628,-0.00011993,0.00009034,0.00003937,0.00006243,0.00005794,-0.003441
 24,0.00109031,-0.00117028,0.00158582,-0.00184533,0.00031027,0.01039614
 ,0.00898702,0.00918721,0.53110181,0.00037861,-0.00020790,-0.00017491,-
 0.00202292,-0.00022740,0.00397702,0.01164255,0.00951707,0.01014442,-0.
 03443584,-0.10992902,-0.03743960,0.00077888,-0.00066050,-0.00148687,-0
 .00000545,0.00018317,-0.00007074,-0.00011959,0.00007320,-0.00002376,0.
 00397190,-0.00139563,0.00199231,0.00127176,0.00103974,0.00074409,-0.00
 761230,-0.00737286,-0.00754987,-0.03281549,0.54166489,-0.00056394,-0.0
 0003554,0.00022210,0.00051788,0.00121496,0.00077723,-0.01137964,-0.002
 46486,-0.00963804,-0.03523264,-0.03758408,-0.11659033,-0.00021016,-0.0
 0084318,-0.00084748,0.00007417,0.00003897,-0.00006234,0.00009274,-0.00
 008567,0.00000763,-0.00161630,0.00073729,0.00014343,-0.00021240,-0.000
 97863,0.00062323,-0.01763747,-0.01744915,-0.01736169,-0.03641200,-0.03
 926249,0.52972213,-0.00000007,-0.00003639,0.00001541,-0.00025573,-0.00
 042722,0.00011736,0.00155461,0.00022243,0.00032778,0.01020680,-0.00873
 632,-0.01678435,-0.00004062,0.00010530,0.00000490,-0.00001268,0.000029
 46,-0.00001714,-0.00001013,0.00001098,0.00000145,0.00022494,-0.0000213
 0,0.00021278,0.00005500,0.00018573,0.00008810,-0.00167716,-0.00294120,
 -0.00302656,-0.11807055,0.04961030,0.10505297,0.12652552,-0.00005194,-
 0.00009204,0.00000659,-0.00011073,0.00036681,-0.00047858,0.00005240,0.
 00049539,0.00086710,0.00932441,-0.00824331,-0.01466639,-0.00018347,-0.
 00002986,0.00028851,-0.00006025,-0.00003424,0.00003083,0.00000551,0.00
 001233,0.00003026,0.00011273,-0.00011750,0.00013342,-0.00021441,0.0001
 3442,0.00012698,-0.00252464,-0.00147670,-0.00195817,0.04864624,-0.0814
 1537,-0.07138734,-0.05177803,0.08616735,-0.00000271,-0.00000739,-0.000
 03439,-0.00015182,-0.00066019,-0.00082890,0.00040318,-0.00000927,0.001
 12542,0.01004522,-0.00852272,-0.01816384,-0.00007299,0.00064689,0.0006
 4740,-0.00004289,-0.00001057,0.00001965,-0.00001346,0.00004559,0.00000
 875,0.00018508,0.00015578,0.00024917,-0.00014280,0.00036873,-0.0002780
 2,-0.00326316,-0.00240667,-0.00129004,0.10360900,-0.07146866,-0.199439
 40,-0.11270710,0.08206257,0.21870666,-0.00000750,0.00004373,0.00011266
 ,0.00112891,0.00039990,-0.00084750,-0.00105501,-0.00306715,-0.00271976
 ,-0.01539579,0.01096344,-0.00575810,-0.00033711,-0.00003853,0.00029179
 ,-0.00000360,-0.00003878,0.00002574,0.00006465,-0.00007862,-0.00000862
 ,-0.00119834,0.00044828,-0.00040553,0.00018983,-0.00017268,0.00018949,
 0.00082005,-0.00018321,-0.00001960,-0.19150874,0.10794486,-0.06777674,
 -0.01261204,0.00901657,-0.00609856,0.20834859,-0.00003075,-0.00000861,
 -0.00005712,0.00025029,-0.00002137,-0.00078966,-0.00244878,-0.00193065
 ,-0.00157097,-0.01502873,0.01022816,-0.00609226,-0.00002752,0.00024024
 ,0.00038316,0.00001340,-0.00000831,0.00000786,0.00002188,0.00000237,0.
 00003700,-0.00060645,0.00045090,-0.00041037,-0.00006319,0.00034415,-0.
 00022796,0.00065028,0.00073736,0.00064427,0.10930628,-0.12964284,0.052
 09107,0.00764228,-0.00701440,0.00427257,-0.11848807,0.13872891,0.00000
 193,0.00002335,0.00014922,0.00057236,-0.00027580,-0.00146639,-0.002634
 64,-0.00238308,-0.00131666,-0.01468428,0.01159131,-0.00719332,-0.00033
 917,0.00043644,0.00063909,-0.00001713,-0.00006937,0.00003022,0.0000434
 9,-0.00001113,-0.00001691,-0.00097239,0.00022310,-0.00021010,0.0002450
 5,-0.00039528,0.00006998,0.00058595,0.00056354,0.00018706,-0.06791024,
 0.05132247,-0.07948157,0.01889194,-0.01427554,0.01016850,0.07795929,-0
 .05558165,0.08408721,0.00028364,-0.00003186,-0.00015511,-0.00015897,-0
 .00004112,0.00031167,0.00082688,-0.00131762,0.00102813,-0.00849525,-0.
 01387334,0.01059747,0.00013071,0.00015896,-0.00007668,0.00002761,0.000
 07701,-0.00001832,-0.00003045,0.00002830,-0.00001986,0.00024496,0.0002
 3085,0.00001606,-0.00042730,0.00075577,-0.00031994,0.00089020,0.000555
 72,-0.00014723,-0.08686913,-0.07620285,0.05146121,-0.00699359,-0.01321
 056,0.00825223,0.01082214,0.01864677,-0.01273976,0.09181036,0.00022279
 ,0.00003477,-0.00022539,-0.00008631,-0.00027115,0.00017156,0.00112302,
 0.00022762,0.00010556,-0.00627531,-0.01463309,0.00981751,0.00005419,0.
 00024955,0.00007280,0.00001428,0.00004974,0.00000440,-0.00006998,0.000
 05494,0.00000975,0.00009584,0.00014310,-0.00005480,-0.00019797,0.00075
 136,-0.00013467,0.00062733,0.00028734,-0.00011947,-0.07730286,-0.19881
 610,0.10193581,0.00469224,0.01018909,-0.00599137,-0.00696178,-0.013555
 85,0.00881818,0.08713647,0.21652343,0.00010700,-0.00015510,-0.00006523
 ,-0.00008399,-0.00001425,-0.00007182,0.00060381,-0.00060803,0.00067175
 ,-0.00877693,-0.01629319,0.00997020,0.00006966,-0.00003935,0.00006840,
 -0.00003793,-0.00001828,0.00001453,-0.00000291,0.00002453,0.00001193,0
 .00018561,-0.00012473,0.00005625,0.00018119,0.00018568,0.00014339,0.00
 062492,0.00045909,0.00117968,0.05298087,0.10356529,-0.11679992,0.00849
 799,0.01942217,-0.01260654,0.00446325,0.00746468,-0.00630580,-0.055422
 36,-0.11155673,0.12475886,-0.12320115,0.04525042,0.02051619,0.01226581
 ,0.00317120,-0.00517369,-0.00027602,0.00044763,0.00020833,-0.01120277,
 -0.01074064,-0.00096674,-0.00161076,-0.00692685,-0.00027335,-0.0055584
 2,0.00640736,0.00086343,-0.01734129,0.02028800,0.00886069,0.00018984,-
 0.00047510,-0.00022063,-0.00062688,0.00023584,-0.00015099,0.00009862,0
 .00089576,-0.00026591,-0.00015711,-0.00012702,0.00072850,-0.00003996,-
 0.00020328,0.00005125,-0.00002673,0.00011004,0.00001211,0.00016727,0.0
 0029084,-0.00044584,0.43609082,0.04508096,-0.12706883,-0.01573925,0.02
 361896,-0.02514772,-0.00761564,-0.00130917,0.00005241,0.00000533,-0.02
 562062,-0.01307728,-0.01043520,-0.00262158,-0.00704125,0.00033989,-0.0
 0107359,-0.00083116,-0.00107595,-0.00351691,0.00485751,0.00103167,-0.0
 0026455,-0.00058926,-0.00036665,0.00038572,0.00056679,-0.00093960,0.00
 004456,0.00030008,0.00048285,-0.00156203,-0.00402579,0.00384908,0.0001
 2130,0.00014576,0.00002072,-0.00008334,0.00022424,-0.00004726,-0.00106
 697,-0.00107986,-0.00098431,0.03400860,0.55235897,0.01987015,-0.014529
 03,-0.08872872,-0.00799246,0.00020003,0.00031731,0.00071253,0.00089154
 ,0.00130931,0.01388269,0.00283792,0.00725973,0.00130129,0.00311253,0.0
 0296116,0.02054417,-0.02432700,-0.00602058,-0.01022118,0.01269209,0.00
 369745,0.00005230,0.00055489,-0.00071634,-0.00005295,-0.00013875,-0.00
 030164,0.00061437,0.00080129,-0.00022257,0.00069908,0.00194094,-0.0019
 5378,-0.00024369,0.00028882,0.00022833,0.00015517,-0.00013851,-0.00018
 335,0.00050603,0.00075425,0.00090075,-0.01575075,-0.02795248,0.5760657
 3,-0.03314678,0.00015949,-0.00920048,0.00209329,0.00085612,-0.00044810
 ,0.00879003,0.01950053,-0.01048186,-0.08563644,-0.01689025,0.01226850,
 -0.00024829,-0.00159548,-0.00020490,0.00124114,-0.00128028,-0.00019252
 ,-0.00213598,0.00279309,0.00128294,-0.00055311,0.00038371,-0.00069878,
 -0.00382321,0.00256392,-0.00248947,-0.00490951,-0.01425200,0.00807053,
 -0.01126916,-0.02115434,0.01059440,0.00099774,0.00137249,0.00001671,0.
 00107863,-0.00028621,0.00078479,-0.00167454,-0.00315376,-0.00255448,-0
 .15826483,-0.02570240,-0.02919733,0.51047844,0.02233112,0.00697456,0.0
 0846218,0.00200809,0.00016726,0.00027300,-0.00058239,-0.02261618,0.009
 61140,-0.01903466,-0.12913823,0.03497553,-0.00055517,0.00021057,0.0004
 7850,0.00013546,-0.00012906,0.00034221,0.00437970,-0.00383616,-0.00085
 061,-0.00024813,0.00046312,-0.00020287,0.00200698,-0.00022339,0.001172
 56,0.00261989,0.00390951,-0.00224309,-0.01189391,-0.01983752,0.0070772
 6,0.00092388,0.00094429,0.00159381,0.00092695,0.00114669,0.00065409,-0
 .00137994,-0.00032277,-0.00123290,-0.02880215,-0.08830051,-0.01070290,
 -0.07494181,0.50288639,0.00368211,0.00363240,0.00235220,0.00009145,-0.
 00014191,0.00285095,0.00049355,0.00939172,-0.00373871,0.01607099,0.035
 58557,-0.10236511,-0.00010440,-0.00039226,-0.00104268,0.00143761,-0.00
 011736,0.00035572,0.00138237,-0.00156422,-0.00010916,0.00014580,-0.000
 26052,0.00014652,-0.00077181,-0.00064403,0.00006956,0.00894188,0.02478
 353,-0.01461877,-0.00378074,-0.01380824,0.00945785,-0.00084206,-0.0016
 7954,0.00042983,-0.00013835,0.00000596,0.00050734,-0.00262546,-0.00322
 038,-0.00246927,-0.03182681,-0.00888289,-0.09333081,-0.01032789,0.0363
 8679,0.54002817,0.00620834,0.02264302,-0.01027585,-0.00490832,-0.00013
 017,0.00146417,0.00018006,0.00037719,-0.00039028,-0.00462312,-0.000462
 20,-0.00440735,0.00073029,0.00274578,0.00040171,0.00123474,-0.00067496
 ,-0.00006340,0.00021064,-0.00059528,-0.00043152,-0.00001228,0.00006933
 ,0.00003204,0.00009924,-0.00003199,0.00002559,-0.00001181,-0.00005288,
 0.00022756,-0.00035698,-0.00133211,0.00135018,0.00003068,-0.00001748,-
 0.00008945,0.00000057,0.00008725,0.00002787,-0.00039538,-0.00045712,-0
 .00039350,-0.06191082,-0.05520102,0.02660380,-0.00829162,-0.02698399,0
 .01515770,0.07013418,-0.00478791,-0.02092452,0.00898367,0.00482222,0.0
 0143352,-0.00131839,-0.00017563,0.00083145,-0.00039777,-0.00125279,0.0
 0074095,-0.00127118,-0.00047854,-0.00275083,-0.00039771,-0.00050833,0.
 00106670,-0.00050103,0.00025029,0.00006915,0.00019994,-0.00003619,0.00
 003357,0.00004382,0.00002580,-0.00000627,-0.00004481,-0.00025605,-0.00
 011399,0.00010399,-0.00018926,-0.00021392,0.00051846,0.00005479,0.0000
 0154,0.00000491,-0.00005125,0.00001073,-0.00001522,-0.00010307,-0.0001
 2188,-0.00012217,-0.05553526,-0.24262840,0.09647672,-0.00210078,-0.007
 37462,0.00369852,0.05914515,0.26453691,-0.00157596,-0.00981991,0.00312
 354,0.00199955,-0.00060991,0.00007850,-0.00004189,0.00012430,-0.000727
 71,-0.00207415,-0.00005758,-0.00033401,-0.00034886,-0.00094950,-0.0001
 6189,-0.00045171,-0.00022581,0.00098619,-0.00011394,0.00047767,-0.0000
 8267,0.00020028,-0.00002372,0.00043615,-0.00001548,-0.00001887,0.00025
 623,-0.00031673,-0.00029393,0.00011042,-0.00020025,-0.00028033,0.00029
 391,0.00004501,0.00002557,0.00001421,0.00001249,0.00001061,0.00002760,
 -0.00009841,-0.00013923,-0.00006606,0.02693665,0.09875439,-0.09701009,
 -0.00304757,-0.01096862,0.00513695,-0.03015934,-0.10454024,0.10164826,
 -0.00329827,0.00325889,0.02451905,-0.00026483,-0.00071791,0.00034830,0
 .00035438,-0.00007584,0.00025232,0.00155915,0.00079325,-0.00027433,0.0
 0012474,0.00042099,-0.00036912,-0.00242400,0.00421298,0.00093200,0.000
 91760,-0.00082605,0.00012215,0.00030568,-0.00031183,-0.00003168,0.0000
 0922,0.00003267,-0.00003883,-0.00026937,-0.00001760,0.00040878,-0.0000
 7020,0.00011580,0.00000498,-0.00003460,0.00017150,0.00012213,0.0001387
 5,-0.00002028,-0.00002000,0.00000039,-0.00004142,0.00017447,-0.0471235
 9,0.00022824,0.00521256,-0.00039361,-0.00525843,-0.03251325,-0.0003862
 0,0.00123198,0.00791774,0.05537856,0.00151827,-0.00320337,-0.02298433,
 0.00048744,0.00075441,-0.00128910,-0.00019749,-0.00072950,-0.00003549,
 0.00043839,0.00040767,-0.00061247,-0.00035512,-0.00038596,0.00058700,0
 .00241264,-0.00277932,-0.00083175,-0.00050355,0.00136019,0.00047412,-0
 .00013887,-0.00100456,0.00047811,0.00003944,0.00011435,0.00027627,-0.0
 0014543,-0.00002807,0.00006241,0.00002764,-0.00003362,0.00000280,-0.00
 001828,0.00006994,0.00008444,0.00009070,0.00001362,0.00003549,-0.00000
 912,-0.00001858,0.00006177,0.00066027,-0.05519862,-0.03337794,-0.00063
 365,-0.00194832,-0.01040114,-0.00016318,0.00462313,0.02832092,-0.00165
 216,0.05761475,0.00099379,-0.00083674,-0.00662588,0.00095056,0.0006944
 7,-0.00051138,-0.00018569,0.00020115,-0.00040483,0.00000950,0.00074632
 ,0.00039117,-0.00037382,-0.00043168,0.00021035,0.00081651,-0.00112635,
 0.00128142,0.00045246,-0.00008919,0.00102550,0.00033073,0.00040105,0.0
 0072825,0.00001329,0.00003995,0.00038903,-0.00038892,-0.00058737,0.000
 17494,-0.00008595,-0.00002931,0.00022071,0.00009377,0.00013894,0.00002
 299,0.00010625,0.00001107,0.00002517,-0.00005760,-0.00008958,0.0000362
 1,0.00620018,-0.03572640,-0.29295766,-0.00133767,-0.00201984,-0.011282
 49,0.00047222,-0.00102479,-0.01458545,-0.00521029,0.03966773,0.3207380
 1,0.00202774,-0.00039951,-0.00084148,0.00004219,0.00035511,0.00015321,
 0.00002648,-0.00001136,-0.00032140,-0.00330722,0.00033864,0.01071217,0
 .00002330,0.00001533,-0.00012314,-0.00029083,0.00004019,0.00045589,0.0
 0043225,-0.00026208,0.00018936,-0.00000144,-0.00012660,0.00009635,0.00
 001255,-0.00000912,0.00008929,-0.00015154,-0.00255033,0.00113716,0.000
 68952,-0.00010446,0.00105770,0.00017506,-0.00028976,-0.00020727,-0.000
 34428,0.00012692,0.00021074,-0.00005241,0.00012812,-0.00023607,-0.0015
 8845,-0.00703943,-0.03222580,-0.04835528,0.00692590,0.01711565,0.00114
 161,0.00019917,0.00062466,-0.00556826,-0.00192873,-0.00233453,0.056413
 13,0.00113208,0.00024907,0.00116947,-0.00018386,0.00005745,0.00027835,
 -0.00063453,-0.00008607,-0.00045859,-0.00475001,0.00325095,0.02677208,
 0.00027413,-0.00000018,-0.00021642,-0.00024550,0.00028983,0.00014010,0
 .00011346,-0.00004816,0.00004871,-0.00004670,0.00016558,-0.00009292,0.
 00024966,-0.00007445,0.00001867,-0.00161045,-0.00344787,0.00272031,-0.
 00018580,0.00149780,0.00182534,0.00037198,-0.00031964,-0.00038454,-0.0
 0004539,0.00008041,-0.00015735,0.00024464,0.00024958,-0.00003004,-0.00
 020635,-0.00264550,-0.01158470,0.00619309,-0.05909957,-0.05021957,0.00
 039799,-0.00005041,-0.00007880,-0.00222363,0.00017053,-0.00016684,-0.0
 0009840,0.06500424,0.00109151,-0.00021543,0.00096231,0.00024703,0.0005
 5239,-0.00126826,0.00011844,0.00021266,0.00009104,0.00411272,-0.002106
 00,-0.01690377,-0.00029750,0.00032404,0.00061673,-0.00079823,0.0003652
 0,0.00031464,0.00011518,0.00002750,0.00039671,0.00005236,-0.00013996,0
 .00015197,-0.00021328,0.00016168,-0.00008306,-0.00005176,0.00288759,-0
 .00074260,-0.00173779,-0.00175298,0.00115031,0.00030796,0.00089780,0.0
 0084332,0.00051959,0.00007065,0.00013014,-0.00039277,-0.00020420,0.000
 50931,-0.00150197,-0.00332777,-0.01239009,0.01731452,-0.04880793,-0.28
 164906,-0.00025153,-0.00032057,0.00048760,-0.00205776,-0.00098777,0.00
 090972,-0.01758003,0.05380056,0.30997178,-0.00455140,-0.00278544,-0.00
 380204,-0.00050455,-0.00178965,0.00026149,0.00003544,-0.00165975,0.000
 42622,0.00665475,-0.00865174,-0.00049441,0.00016643,0.00062728,-0.0000
 0130,0.00013829,-0.00010828,0.00008788,-0.00135181,0.00144069,0.000428
 41,-0.00003239,0.00005767,0.00004880,0.00043028,-0.00022418,0.00022070
 ,0.00137470,-0.00018720,-0.00045934,0.00054866,0.00021771,0.00010656,-
 0.00002324,-0.00005730,0.00010741,-0.00010299,0.00014459,-0.00001793,-
 0.00010714,0.00016137,0.00006522,-0.01988358,0.02157327,0.00553003,-0.
 16597691,0.12742262,0.01841166,0.00092618,-0.00025434,0.00070791,0.001
 04447,0.00007080,-0.00046480,-0.00132412,0.00125359,0.00100330,0.18253
 893,-0.00204110,-0.00015240,-0.00101067,-0.00139104,0.00005801,0.00037
 981,-0.00277599,-0.00297651,0.00087476,0.01785591,-0.01934309,-0.00164
 205,0.00037381,0.00005706,-0.00021193,-0.00006249,0.00002261,0.0000417
 4,-0.00063775,0.00048050,0.00002273,0.00009651,-0.00004730,0.00017274,
 0.00104906,-0.00062917,0.00059985,-0.00003318,0.00166187,0.00020351,0.
 00062853,-0.00019741,0.00079989,-0.00001193,0.00021615,0.00020537,-0.0
 0062563,-0.00002575,-0.00045629,-0.00059804,0.00005873,-0.00000414,-0.
 00874932,0.00912844,0.00220029,0.12816851,-0.18387605,-0.02215242,0.00
 063666,0.00083719,0.00029301,0.00067882,0.00020131,0.00022741,0.004690
 38,-0.00524358,-0.00143748,-0.13725172,0.19976937,-0.00122023,-0.00065
 884,0.00001387,0.00043314,0.00000138,-0.00090005,0.00095347,0.00334351
 ,-0.00061312,-0.01066191,0.01410372,-0.00098363,-0.00017850,0.00016901
 ,0.00038898,-0.00047129,0.00010559,0.00021462,-0.00025466,0.00025489,0
 .00039913,0.00004393,-0.00013505,-0.00000178,-0.00079294,0.00051501,-0
 .00033594,-0.00081657,0.00008426,0.00097923,0.00005446,-0.00033880,-0.
 00044398,-0.00003651,0.00012598,0.00017690,-0.00006299,-0.00013040,0.0
 0015256,-0.00009931,0.00004599,0.00006337,-0.00780064,0.00860947,0.001
 07585,0.01984863,-0.02399858,-0.05072903,0.00069936,-0.00007615,0.0003
 6832,0.00050079,0.00046895,0.00021419,0.02202756,-0.02338380,-0.003498
 73,-0.02216578,0.02089386,0.05345925\\0.00001684,-0.00000590,-0.000004
 87,0.00000004,-0.00000140,0.00001088,-0.00000025,0.00000256,-0.0000055
 3,0.00003623,0.00005904,0.00001693,-0.00000069,-0.00000005,-0.00000131
 ,0.00000004,-0.00000065,0.00000108,-0.00000004,-0.00000117,-0.00000008
 ,-0.00000027,0.00000251,-0.00000881,0.00000033,0.00000016,-0.00000249,
 0.00000244,-0.00000057,-0.00000189,-0.00000031,-0.00000383,0.00000279,
 -0.00000458,-0.00000095,-0.00000370,-0.00000640,-0.00000342,-0.0000018
 6,-0.00000260,-0.00000036,-0.00000284,0.00000161,0.00002068,-0.0000123
 0,-0.00004750,-0.00007235,-0.00000120,0.00000049,-0.00000074,0.0000007
 6,0.00000681,0.00001046,0.00000643,-0.00000266,-0.00000378,0.00000685,
 0.00000047,-0.00000024,0.00000115\\\@


 TOM, TOM, THE BURGLAR'S SON
 STOLE A MACHINE AND AWAY HE RUN
 THE JOB WAS NEAT, BUT TOM GOT BEAT
 BY THE TIME HE GOT HOME IT WAS OBSOLETE.
 Job cpu time:       0 days  2 hours 22 minutes 52.1 seconds.
 Elapsed time:       0 days  0 hours  8 minutes 57.3 seconds.
 File lengths (MBytes):  RWF=    223 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 24 17:01:20 2021.
